Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 14281006 | 205164 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 440 | 8 | 2 | 7 | 3.3 | COC(=O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL90804 | 205164 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 440 | 8 | 2 | 7 | 3.3 | COC(=O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 14281026 | 167408 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 410 | 7 | 2 | 5 | 4.5 | CN(C(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL431799 | 167408 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 410 | 7 | 2 | 5 | 4.5 | CN(C(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| 14281025 | 205058 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.1 | CN(C(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL90237 | 205058 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.1 | CN(C(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 1711 | 77 | 12 | None | 1 | 7 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10.1021/jm020046y | ||
| 5310983 | 77 | 12 | None | 1 | 7 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10.1021/jm020046y | ||
| CHEMBL336208 | 77 | 12 | None | 1 | 7 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10.1021/jm020046y | ||
| 3352 | 2339 | 25 | None | -4 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 439 | 18 | 4 | 5 | 4.3 | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N | 10.1021/jm900945d | ||
| 5280879 | 2339 | 25 | None | -4 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 439 | 18 | 4 | 5 | 4.3 | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N | 10.1021/jm900945d | ||
| 5863 | 2339 | 25 | None | -4 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 439 | 18 | 4 | 5 | 4.3 | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N | 10.1021/jm900945d | ||
| CHEMBL509456 | 2339 | 25 | None | -4 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 439 | 18 | 4 | 5 | 4.3 | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N | 10.1021/jm900945d | ||
| 1756 | 459 | 8 | None | 38 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
| 5310954 | 459 | 8 | None | 38 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
| CHEMBL336292 | 459 | 8 | None | 38 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
| 5492386 | 204760 | 3 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 397 | 7 | 2 | 6 | 3.4 | O=S(=O)(CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)c1ccccc1 | 10.1021/jm00092a019 | ||
| CHEMBL88245 | 204760 | 3 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 397 | 7 | 2 | 6 | 3.4 | O=S(=O)(CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)c1ccccc1 | 10.1021/jm00092a019 | ||
| 135434015 | 202226 | 10 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 384 | 6 | 1 | 5 | 2.6 | CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL69139 | 202226 | 10 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 384 | 6 | 1 | 5 | 2.6 | CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 14281041 | 205255 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 287 | 5 | 3 | 5 | 2.3 | CC(O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL91359 | 205255 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 287 | 5 | 3 | 5 | 2.3 | CC(O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14280990 | 105651 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 287 | 5 | 3 | 5 | 2.0 | O=C(O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL313463 | 105651 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 287 | 5 | 3 | 5 | 2.0 | O=C(O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 135409400 | 203193 | 72 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 0 | 1 | 3 | 1.9 | O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1 | 10.1021/jm00092a019 | ||
| CHEMBL760 | 203193 | 72 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 255 | 0 | 1 | 3 | 1.9 | O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1 | 10.1021/jm00092a019 | ||
| 15005606 | 204831 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 6 | 3 | 4 | 3.9 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88707 | 204831 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 6 | 3 | 4 | 3.9 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCC1 | 10.1021/jm00092a019 | ||
| 14281012 | 105529 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 368 | 5 | 1 | 6 | 3.0 | Cn1c(O)nc2nc3ccc(OCCCC(=O)N4CCCCC4)cc3cc21 | 10.1021/jm00092a019 | ||
| CHEMBL313282 | 105529 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 368 | 5 | 1 | 6 | 3.0 | Cn1c(O)nc2nc3ccc(OCCCC(=O)N4CCCCC4)cc3cc21 | 10.1021/jm00092a019 | ||
| 14281011 | 205088 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 354 | 5 | 2 | 5 | 2.9 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL90414 | 205088 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 354 | 5 | 2 | 5 | 2.9 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCCCC1 | 10.1021/jm00092a019 | ||
| 15005605 | 204832 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 380 | 6 | 2 | 4 | 4.3 | CN(C(=O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88708 | 204832 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 380 | 6 | 2 | 4 | 4.3 | CN(C(=O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 15005586 | 106441 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 275 | 4 | 4 | 6 | 0.5 | OCC(O)COc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL314763 | 106441 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 275 | 4 | 4 | 6 | 0.5 | OCC(O)COc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005565 | 205177 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 329 | 6 | 2 | 6 | 2.9 | CC(C)OC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL90881 | 205177 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 329 | 6 | 2 | 6 | 2.9 | CC(C)OC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14281001 | 205418 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 420 | 6 | 3 | 5 | 4.0 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00092a019 | ||
| CHEMBL92264 | 205418 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 420 | 6 | 3 | 5 | 4.0 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00092a019 | ||
| 14281010 | 205271 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 6 | 1 | 6 | 4.2 | CN(C(=O)CCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91422 | 205271 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 6 | 1 | 6 | 4.2 | CN(C(=O)CCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| 14281011 | 205088 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 354 | 5 | 2 | 5 | 2.9 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL90414 | 205088 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 354 | 5 | 2 | 5 | 2.9 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCCCC1 | 10.1021/jm00092a019 | ||
| 440317 | 21548 | 15 | None | -2 | 4 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 523 | 8 | 7 | 14 | -1.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O | 10.1021/jm020046y | ||
| CHEMBL131890 | 21548 | 15 | None | -2 | 4 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 523 | 8 | 7 | 14 | -1.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O | 10.1021/jm020046y | ||
| 15005591 | 204780 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 282 | 5 | 2 | 5 | 2.8 | N#CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL88377 | 204780 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 282 | 5 | 2 | 5 | 2.8 | N#CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005580 | 205046 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 300 | 5 | 3 | 5 | 1.7 | CNC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL90168 | 205046 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 300 | 5 | 3 | 5 | 1.7 | CNC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14281024 | 204838 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 424 | 7 | 1 | 6 | 4.6 | CN(C(=O)CCCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88764 | 204838 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 424 | 7 | 1 | 6 | 4.6 | CN(C(=O)CCCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| 14281020 | 106057 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 285 | 5 | 2 | 5 | 2.5 | CC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL314093 | 106057 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 285 | 5 | 2 | 5 | 2.5 | CC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14280990 | 105651 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 287 | 5 | 3 | 5 | 2.0 | O=C(O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL313463 | 105651 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 287 | 5 | 3 | 5 | 2.0 | O=C(O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14281023 | 205200 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 410 | 7 | 1 | 6 | 4.2 | CN(C(=O)CCCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91044 | 205200 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 410 | 7 | 1 | 6 | 4.2 | CN(C(=O)CCCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 15005608 | 205226 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 352 | 5 | 2 | 4 | 3.5 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91204 | 205226 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 352 | 5 | 2 | 4 | 3.5 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCCCC1 | 10.1021/jm00092a019 | ||
| 14281005 | 205630 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 382 | 6 | 3 | 5 | 3.8 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL93688 | 205630 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 382 | 6 | 3 | 5 | 3.8 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCCC1 | 10.1021/jm00092a019 | ||
| 15005569 | 110971 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 301 | 5 | 2 | 6 | 2.1 | Cn1c(O)nc2cc3cc(OCCCC(=O)O)ccc3nc21 | 10.1021/jm00092a019 | ||
| CHEMBL327580 | 110971 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 301 | 5 | 2 | 6 | 2.1 | Cn1c(O)nc2cc3cc(OCCCC(=O)O)ccc3nc21 | 10.1021/jm00092a019 | ||
| 5492386 | 204760 | 3 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 397 | 7 | 2 | 6 | 3.4 | O=S(=O)(CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)c1ccccc1 | 10.1021/jm00092a019 | ||
| CHEMBL88245 | 204760 | 3 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 397 | 7 | 2 | 6 | 3.4 | O=S(=O)(CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)c1ccccc1 | 10.1021/jm00092a019 | ||
| 14281004 | 205254 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 382 | 6 | 2 | 6 | 3.4 | Cn1c(O)nc2nc3ccc(OCCCC(=O)NC4CCCCC4)cc3cc21 | 10.1021/jm00092a019 | ||
| CHEMBL91356 | 205254 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 382 | 6 | 2 | 6 | 3.4 | Cn1c(O)nc2nc3ccc(OCCCC(=O)NC4CCCCC4)cc3cc21 | 10.1021/jm00092a019 | ||
| 15005588 | 205419 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 268 | 4 | 2 | 5 | 2.5 | N#CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL92269 | 205419 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 268 | 4 | 2 | 5 | 2.5 | N#CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005581 | 205188 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 314 | 5 | 2 | 5 | 2.0 | CN(C)C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL90958 | 205188 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 314 | 5 | 2 | 5 | 2.0 | CN(C)C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14280996 | 205313 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 315 | 5 | 1 | 7 | 2.2 | COC(=O)CCCOc1ccc2nc3nc(O)n(C)c3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL91634 | 205313 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 315 | 5 | 1 | 7 | 2.2 | COC(=O)CCCOc1ccc2nc3nc(O)n(C)c3cc2c1 | 10.1021/jm00092a019 | ||
| 14280992 | 204802 | 8 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 259 | 3 | 3 | 5 | 1.2 | O=C(O)COc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL88525 | 204802 | 8 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 259 | 3 | 3 | 5 | 1.2 | O=C(O)COc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005576 | 204788 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 454 | 9 | 2 | 7 | 3.7 | CCOC(=O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88444 | 204788 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 454 | 9 | 2 | 7 | 3.7 | CCOC(=O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 15005584 | 205052 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 245 | 3 | 3 | 5 | 1.1 | OCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL90195 | 205052 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 245 | 3 | 3 | 5 | 1.1 | OCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005574 | 205293 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 410 | 8 | 2 | 5 | 4.5 | CN(C(=O)CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91527 | 205293 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 410 | 8 | 2 | 5 | 4.5 | CN(C(=O)CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 5487281 | 204812 | 13 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 213 | 0 | 2 | 3 | 2.4 | Cc1ccc2[nH]c3nc(O)nc-3cc2c1C | 10.1021/jm00092a019 | ||
| CHEMBL88583 | 204812 | 13 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 213 | 0 | 2 | 3 | 2.4 | Cc1ccc2[nH]c3nc(O)nc-3cc2c1C | 10.1021/jm00092a019 | ||
| 14281001 | 205418 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 420 | 6 | 3 | 5 | 4.0 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00092a019 | ||
| CHEMBL92264 | 205418 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 420 | 6 | 3 | 5 | 4.0 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00092a019 | ||
| 14281015 | 111088 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 426 | 7 | 2 | 7 | 2.7 | CCOC(=O)C1CCN(C(=O)CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1 | 10.1021/jm00092a019 | ||
| CHEMBL328149 | 111088 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 426 | 7 | 2 | 7 | 2.7 | CCOC(=O)C1CCN(C(=O)CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1 | 10.1021/jm00092a019 | ||
| 15005605 | 204832 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 6 | 2 | 4 | 4.3 | CN(C(=O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88708 | 204832 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 6 | 2 | 4 | 4.3 | CN(C(=O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 10016898 | 205120 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 287 | 4 | 2 | 6 | 1.7 | CCOC(=O)COc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL90566 | 205120 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 287 | 4 | 2 | 6 | 1.7 | CCOC(=O)COc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005600 | 204757 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 243 | 3 | 3 | 4 | 1.7 | OCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL88224 | 204757 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 243 | 3 | 3 | 4 | 1.7 | OCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 136677322 | 3244 | 22 | None | 79 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/jm020046y | ||
| 1739 | 3244 | 22 | None | 79 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/jm020046y | ||
| 656725 | 3244 | 22 | None | 79 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/jm020046y | ||
| CHEMBL1160031 | 3244 | 22 | None | 79 | 9 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/jm020046y | ||
| 14281027 | 204971 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 407 | 7 | 2 | 8 | 3.7 | Oc1nc2cc3cc(OCCCCc4nnnn4C4CCCCC4)ccc3[nH]c-2n1 | 10.1021/jm00092a019 | ||
| CHEMBL89679 | 204971 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 407 | 7 | 2 | 8 | 3.7 | Oc1nc2cc3cc(OCCCCc4nnnn4C4CCCCC4)ccc3[nH]c-2n1 | 10.1021/jm00092a019 | ||
| 15005586 | 106441 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 275 | 4 | 4 | 6 | 0.5 | OCC(O)COc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL314763 | 106441 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 275 | 4 | 4 | 6 | 0.5 | OCC(O)COc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005573 | 205251 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 410 | 6 | 0 | 6 | 3.4 | CN(C(=O)CCCOc1ccc2nc3c(cc2c1)n(C)c(=O)n3C)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91340 | 205251 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 410 | 6 | 0 | 6 | 3.4 | CN(C(=O)CCCOc1ccc2nc3c(cc2c1)n(C)c(=O)n3C)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 15005599 | 204828 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 295 | 3 | 2 | 5 | 2.5 | COC(=O)/C=C/C=C/c1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL88697 | 204828 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 295 | 3 | 2 | 5 | 2.5 | COC(=O)/C=C/C=C/c1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14281000 | 204967 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 356 | 5 | 2 | 6 | 1.8 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCOCC1 | 10.1021/jm00092a019 | ||
| CHEMBL89660 | 204967 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 356 | 5 | 2 | 6 | 1.8 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCOCC1 | 10.1021/jm00092a019 | ||
| 15005601 | 111305 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 271 | 5 | 3 | 4 | 2.5 | OCCCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL328755 | 111305 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 271 | 5 | 3 | 4 | 2.5 | OCCCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005566 | 204858 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 315 | 5 | 1 | 7 | 2.2 | COC(=O)CCCOc1ccc2nc3c(cc2c1)nc(O)n3C | 10.1021/jm00092a019 | ||
| CHEMBL88877 | 204858 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 315 | 5 | 1 | 7 | 2.2 | COC(=O)CCCOc1ccc2nc3c(cc2c1)nc(O)n3C | 10.1021/jm00092a019 | ||
| 15005603 | 163561 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 299 | 5 | 2 | 5 | 2.7 | COC(=O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL420980 | 163561 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 299 | 5 | 2 | 5 | 2.7 | COC(=O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005579 | 112141 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 286 | 5 | 3 | 5 | 1.4 | NC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL330280 | 112141 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 286 | 5 | 3 | 5 | 1.4 | NC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005571 | 205242 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 315 | 7 | 3 | 5 | 2.8 | O=C(O)CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL91295 | 205242 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 315 | 7 | 3 | 5 | 2.8 | O=C(O)CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 1713 | 516 | 63 | None | -190 | 10 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| 5957 | 516 | 63 | None | -190 | 10 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| 91 | 516 | 63 | None | -190 | 10 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| CHEMBL14249 | 516 | 63 | None | -190 | 10 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| DB00171 | 516 | 63 | None | -190 | 10 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| 14281034 | 110939 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 301 | 5 | 2 | 6 | 2.1 | CC(=O)OCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL327374 | 110939 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 301 | 5 | 2 | 6 | 2.1 | CC(=O)OCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005572 | 163262 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 396 | 6 | 1 | 6 | 3.8 | CN(C(=O)CCCOc1ccc2nc3c(cc2c1)nc(O)n3C)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL420618 | 163262 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 396 | 6 | 1 | 6 | 3.8 | CN(C(=O)CCCOc1ccc2nc3c(cc2c1)nc(O)n3C)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 15005566 | 204858 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 315 | 5 | 1 | 7 | 2.2 | COC(=O)CCCOc1ccc2nc3c(cc2c1)nc(O)n3C | 10.1021/jm00092a019 | ||
| CHEMBL88877 | 204858 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 315 | 5 | 1 | 7 | 2.2 | COC(=O)CCCOc1ccc2nc3c(cc2c1)nc(O)n3C | 10.1021/jm00092a019 | ||
| 15005564 | 164872 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 315 | 6 | 2 | 6 | 2.5 | CCOC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL423864 | 164872 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 315 | 6 | 2 | 6 | 2.5 | CCOC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005578 | 205302 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 398 | 6 | 3 | 6 | 2.3 | O=C(O)C1CCN(C(=O)CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1 | 10.1021/jm00092a019 | ||
| CHEMBL91570 | 205302 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 398 | 6 | 3 | 6 | 2.3 | O=C(O)C1CCN(C(=O)CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1 | 10.1021/jm00092a019 | ||
| 5487281 | 204812 | 13 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 0 | 2 | 3 | 2.4 | Cc1ccc2[nH]c3nc(O)nc-3cc2c1C | 10.1021/jm00092a019 | ||
| CHEMBL88583 | 204812 | 13 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 213 | 0 | 2 | 3 | 2.4 | Cc1ccc2[nH]c3nc(O)nc-3cc2c1C | 10.1021/jm00092a019 | ||
| 15005594 | 205140 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 383 | 6 | 2 | 6 | 3.0 | O=S(=O)(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)c1ccccc1 | 10.1021/jm00092a019 | ||
| CHEMBL90677 | 205140 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 383 | 6 | 2 | 6 | 3.0 | O=S(=O)(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)c1ccccc1 | 10.1021/jm00092a019 | ||
| 14281005 | 205630 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 382 | 6 | 3 | 5 | 3.8 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL93688 | 205630 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 382 | 6 | 3 | 5 | 3.8 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCCC1 | 10.1021/jm00092a019 | ||
| 15005584 | 205052 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 245 | 3 | 3 | 5 | 1.1 | OCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL90195 | 205052 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 245 | 3 | 3 | 5 | 1.1 | OCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 9999105 | 204755 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 368 | 6 | 3 | 5 | 3.4 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88218 | 204755 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 368 | 6 | 3 | 5 | 3.4 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCC1 | 10.1021/jm00092a019 | ||
| 135973538 | 3654 | 30 | None | -33 | 7 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
| 1728 | 3654 | 30 | None | -33 | 7 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
| 2966 | 3654 | 30 | None | -33 | 7 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
| 4261196 | 3654 | 30 | None | -33 | 7 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
| 5361 | 3654 | 30 | None | -33 | 7 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
| CHEMBL265502 | 3654 | 30 | None | -33 | 7 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
| DB04786 | 3654 | 30 | None | -33 | 7 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
| 15005608 | 205226 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 352 | 5 | 2 | 4 | 3.5 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91204 | 205226 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 352 | 5 | 2 | 4 | 3.5 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCCCC1 | 10.1021/jm00092a019 | ||
| 14281003 | 205233 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 354 | 6 | 3 | 5 | 3.0 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91259 | 205233 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 354 | 6 | 3 | 5 | 3.0 | O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCC1 | 10.1021/jm00092a019 | ||
| 15005603 | 163561 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 299 | 5 | 2 | 5 | 2.7 | COC(=O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL420980 | 163561 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 299 | 5 | 2 | 5 | 2.7 | COC(=O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005598 | 204834 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 283 | 3 | 2 | 5 | 2.3 | CCOC(=O)/C=C/c1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL88730 | 204834 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 283 | 3 | 2 | 5 | 2.3 | CCOC(=O)/C=C/c1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005602 | 205212 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 285 | 4 | 2 | 5 | 2.3 | CCOC(=O)CCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL91127 | 205212 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 285 | 4 | 2 | 5 | 2.3 | CCOC(=O)CCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 135434015 | 202226 | 10 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 384 | 6 | 1 | 5 | 2.6 | CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL69139 | 202226 | 10 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 384 | 6 | 1 | 5 | 2.6 | CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 15005578 | 205302 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 398 | 6 | 3 | 6 | 2.3 | O=C(O)C1CCN(C(=O)CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1 | 10.1021/jm00092a019 | ||
| CHEMBL91570 | 205302 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 398 | 6 | 3 | 6 | 2.3 | O=C(O)C1CCN(C(=O)CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1 | 10.1021/jm00092a019 | ||
| 14281031 | 205358 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 273 | 5 | 2 | 5 | 2.2 | CCOCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL91899 | 205358 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 273 | 5 | 2 | 5 | 2.2 | CCOCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005606 | 204831 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 366 | 6 | 3 | 4 | 3.9 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88707 | 204831 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 366 | 6 | 3 | 4 | 3.9 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)NC1CCCCC1 | 10.1021/jm00092a019 | ||
| 14281026 | 167408 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 410 | 7 | 2 | 5 | 4.5 | CN(C(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL431799 | 167408 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 410 | 7 | 2 | 5 | 4.5 | CN(C(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| 14281016 | 205258 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 382 | 6 | 2 | 5 | 3.7 | CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91368 | 205258 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 382 | 6 | 2 | 5 | 3.7 | CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 14281018 | 205433 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 396 | 6 | 1 | 6 | 3.8 | CN(C(=O)CCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL92363 | 205433 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 396 | 6 | 1 | 6 | 3.8 | CN(C(=O)CCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 14281036 | 204829 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 397 | 6 | 1 | 7 | 3.1 | Cn1c(O)nc2nc3ccc(OCCCS(=O)(=O)c4ccccc4)cc3cc21 | 10.1021/jm00092a019 | ||
| CHEMBL88698 | 204829 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 397 | 6 | 1 | 7 | 3.1 | Cn1c(O)nc2nc3ccc(OCCCS(=O)(=O)c4ccccc4)cc3cc21 | 10.1021/jm00092a019 | ||
| 15005592 | 205040 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 325 | 6 | 3 | 7 | 1.7 | Oc1nc2cc3cc(OCCCCc4nnn[nH]4)ccc3[nH]c-2n1 | 10.1021/jm00092a019 | ||
| CHEMBL90120 | 205040 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 325 | 6 | 3 | 7 | 1.7 | Oc1nc2cc3cc(OCCCCc4nnn[nH]4)ccc3[nH]c-2n1 | 10.1021/jm00092a019 | ||
| 15005572 | 163262 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 396 | 6 | 1 | 6 | 3.8 | CN(C(=O)CCCOc1ccc2nc3c(cc2c1)nc(O)n3C)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL420618 | 163262 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 396 | 6 | 1 | 6 | 3.8 | CN(C(=O)CCCOc1ccc2nc3c(cc2c1)nc(O)n3C)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 44323790 | 204843 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 4.6 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00092a019 | ||
| CHEMBL88799 | 204843 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 4.6 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00092a019 | ||
| 14281024 | 204838 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 424 | 7 | 1 | 6 | 4.6 | CN(C(=O)CCCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88764 | 204838 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 424 | 7 | 1 | 6 | 4.6 | CN(C(=O)CCCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| 15005574 | 205293 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 410 | 8 | 2 | 5 | 4.5 | CN(C(=O)CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91527 | 205293 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 410 | 8 | 2 | 5 | 4.5 | CN(C(=O)CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 15005592 | 205040 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 325 | 6 | 3 | 7 | 1.7 | Oc1nc2cc3cc(OCCCCc4nnn[nH]4)ccc3[nH]c-2n1 | 10.1021/jm00092a019 | ||
| CHEMBL90120 | 205040 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 325 | 6 | 3 | 7 | 1.7 | Oc1nc2cc3cc(OCCCCc4nnn[nH]4)ccc3[nH]c-2n1 | 10.1021/jm00092a019 | ||
| 15005585 | 205287 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 273 | 5 | 3 | 5 | 1.9 | OCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL91478 | 205287 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 273 | 5 | 3 | 5 | 1.9 | OCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005565 | 205177 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 329 | 6 | 2 | 6 | 2.9 | CC(C)OC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL90881 | 205177 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 329 | 6 | 2 | 6 | 2.9 | CC(C)OC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14281006 | 205164 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 440 | 8 | 2 | 7 | 3.3 | COC(=O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL90804 | 205164 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 440 | 8 | 2 | 7 | 3.3 | COC(=O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 134687118 | 192181 | 1 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 387 | 4 | 1 | 2 | 4.6 | COc1ccc(Cl)c(C(=O)NCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c1 | 10.1021/acs.jmedchem.1c01571 | ||
| CHEMBL5179763 | 192181 | 1 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 387 | 4 | 1 | 2 | 4.6 | COc1ccc(Cl)c(C(=O)NCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c1 | 10.1021/acs.jmedchem.1c01571 | ||
| CHEMBL5221347 | 192181 | 1 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 387 | 4 | 1 | 2 | 4.6 | COc1ccc(Cl)c(C(=O)NCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c1 | 10.1021/acs.jmedchem.1c01571 | ||
| 14281008 | 204869 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 396 | 6 | 2 | 5 | 4.1 | CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88955 | 204869 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 396 | 6 | 2 | 5 | 4.1 | CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| 15005588 | 205419 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 268 | 4 | 2 | 5 | 2.5 | N#CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL92269 | 205419 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 268 | 4 | 2 | 5 | 2.5 | N#CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005579 | 112141 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 286 | 5 | 3 | 5 | 1.4 | NC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL330280 | 112141 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 286 | 5 | 3 | 5 | 1.4 | NC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005564 | 164872 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 315 | 6 | 2 | 6 | 2.5 | CCOC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL423864 | 164872 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 315 | 6 | 2 | 6 | 2.5 | CCOC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005604 | 204764 | 0 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 285 | 5 | 3 | 4 | 2.6 | O=C(O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL88265 | 204764 | 0 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 285 | 5 | 3 | 4 | 2.6 | O=C(O)CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005590 | 204850 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 311 | 5 | 3 | 7 | 1.3 | Oc1nc2cc3cc(OCCCc4nnn[nH]4)ccc3[nH]c-2n1 | 10.1021/jm00092a019 | ||
| CHEMBL88835 | 204850 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 311 | 5 | 3 | 7 | 1.3 | Oc1nc2cc3cc(OCCCc4nnn[nH]4)ccc3[nH]c-2n1 | 10.1021/jm00092a019 | ||
| 10017729 | 204737 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 301 | 5 | 2 | 6 | 2.1 | COC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL88136 | 204737 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 301 | 5 | 2 | 6 | 2.1 | COC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 1712 | 285 | 64 | None | -1 | 6 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| 6022 | 285 | 64 | None | -1 | 6 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| CHEMBL14830 | 285 | 64 | None | -1 | 6 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| 135838395 | 105672 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 289 | 5 | 2 | 5 | 0.9 | O=C(O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2 | 10.1021/jm00092a019 | ||
| CHEMBL313609 | 105672 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 289 | 5 | 2 | 5 | 0.9 | O=C(O)CCCOc1ccc2c(c1)CN1CC(=O)NC1=N2 | 10.1021/jm00092a019 | ||
| 14281016 | 205258 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 382 | 6 | 2 | 5 | 3.7 | CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91368 | 205258 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 382 | 6 | 2 | 5 | 3.7 | CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 14281010 | 205271 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 410 | 6 | 1 | 6 | 4.2 | CN(C(=O)CCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL91422 | 205271 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 410 | 6 | 1 | 6 | 4.2 | CN(C(=O)CCCOc1ccc2nc3nc(O)n(C)c3cc2c1)C1CCCCCC1 | 10.1021/jm00092a019 | ||
| 15005580 | 205046 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 300 | 5 | 3 | 5 | 1.7 | CNC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL90168 | 205046 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 300 | 5 | 3 | 5 | 1.7 | CNC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14281033 | 112306 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 259 | 4 | 3 | 5 | 1.5 | OCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL330677 | 112306 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 259 | 4 | 3 | 5 | 1.5 | OCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14281004 | 205254 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 382 | 6 | 2 | 6 | 3.4 | Cn1c(O)nc2nc3ccc(OCCCC(=O)NC4CCCCC4)cc3cc21 | 10.1021/jm00092a019 | ||
| CHEMBL91356 | 205254 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 382 | 6 | 2 | 6 | 3.4 | Cn1c(O)nc2nc3ccc(OCCCC(=O)NC4CCCCC4)cc3cc21 | 10.1021/jm00092a019 | ||
| 14281025 | 205058 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.1 | CN(C(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL90237 | 205058 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.1 | CN(C(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 15005576 | 204788 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 9 | 2 | 7 | 3.7 | CCOC(=O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88444 | 204788 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 9 | 2 | 7 | 3.7 | CCOC(=O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 1755 | 286 | 16 | None | -32 | 6 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| 5310996 | 286 | 16 | None | -32 | 6 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| CHEMBL335206 | 286 | 16 | None | -32 | 6 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
| 10017729 | 204737 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 301 | 5 | 2 | 6 | 2.1 | COC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL88136 | 204737 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 301 | 5 | 2 | 6 | 2.1 | COC(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14281035 | 204998 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 287 | 4 | 2 | 6 | 1.7 | CC(=O)OCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL89876 | 204998 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 287 | 4 | 2 | 6 | 1.7 | CC(=O)OCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005567 | 205347 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 329 | 7 | 2 | 6 | 2.9 | COC(=O)CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL91837 | 205347 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 329 | 7 | 2 | 6 | 2.9 | COC(=O)CCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 14281015 | 111088 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 426 | 7 | 2 | 7 | 2.7 | CCOC(=O)C1CCN(C(=O)CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1 | 10.1021/jm00092a019 | ||
| CHEMBL328149 | 111088 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 426 | 7 | 2 | 7 | 2.7 | CCOC(=O)C1CCN(C(=O)CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1 | 10.1021/jm00092a019 | ||
| 15005585 | 205287 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 5 | 3 | 5 | 1.9 | OCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL91478 | 205287 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 5 | 3 | 5 | 1.9 | OCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005577 | 204732 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 426 | 8 | 3 | 6 | 3.2 | O=C(O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88108 | 204732 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 426 | 8 | 3 | 6 | 3.2 | O=C(O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 14280999 | 204784 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 329 | 6 | 1 | 7 | 2.5 | COC(=O)CCCCOc1ccc2nc3nc(O)n(C)c3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL88395 | 204784 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 329 | 6 | 1 | 7 | 2.5 | COC(=O)CCCCOc1ccc2nc3nc(O)n(C)c3cc2c1 | 10.1021/jm00092a019 | ||
| 15005570 | 205304 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 315 | 5 | 1 | 6 | 1.7 | Cn1c(=O)n(C)c2nc3ccc(OCCCC(=O)O)cc3cc21 | 10.1021/jm00092a019 | ||
| CHEMBL91579 | 205304 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 315 | 5 | 1 | 6 | 1.7 | Cn1c(=O)n(C)c2nc3ccc(OCCCC(=O)O)cc3cc21 | 10.1021/jm00092a019 | ||
| 14280998 | 205349 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 315 | 6 | 2 | 6 | 2.5 | COC(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL91843 | 205349 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 315 | 6 | 2 | 6 | 2.5 | COC(=O)CCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 15005583 | 205396 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 315 | 6 | 2 | 6 | 2.5 | CC(=O)OCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| CHEMBL92158 | 205396 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 315 | 6 | 2 | 6 | 2.5 | CC(=O)OCCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1 | 10.1021/jm00092a019 | ||
| 44323790 | 204843 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 4.6 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00092a019 | ||
| CHEMBL88799 | 204843 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 418 | 6 | 3 | 4 | 4.6 | O=C(CCCCc1ccc2[nH]c3nc(O)nc-3cc2c1)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 | 10.1021/jm00092a019 | ||
| 15005577 | 204732 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 426 | 8 | 3 | 6 | 3.2 | O=C(O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| CHEMBL88108 | 204732 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 426 | 8 | 3 | 6 | 3.2 | O=C(O)CN(C(=O)CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCCCC1 | 10.1021/jm00092a019 | ||
| 44443919 | 93980 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 553 | 14 | 6 | 13 | 0.2 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1O[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL251024 | 93980 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 553 | 14 | 6 | 13 | 0.2 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1O[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| 23649184 | 189742 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 416 | 5 | 1 | 7 | 3.6 | CCOC(=O)c1cc(C#N)c(N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)nc1C | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5176593 | 189742 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 416 | 5 | 1 | 7 | 3.6 | CCOC(=O)c1cc(C#N)c(N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)nc1C | 10.1016/j.ejmech.2021.113924 | ||
| 1776 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
| 5006 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
| 9854012 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
| CHEMBL334966 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
| DB06441 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
| 44443921 | 168189 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 551 | 14 | 6 | 12 | 0.8 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL437204 | 168189 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 551 | 14 | 6 | 12 | 0.8 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| 1776 | 775 | 34 | None | -2 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm901691y | ||
| 5006 | 775 | 34 | None | -2 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm901691y | ||
| 9854012 | 775 | 34 | None | -2 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm901691y | ||
| CHEMBL334966 | 775 | 34 | None | -2 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm901691y | ||
| DB06441 | 775 | 34 | None | -2 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm901691y | ||
| 44555026 | 111450 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 8 | 1 | 7 | 3.1 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288134 | 111450 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 8 | 1 | 7 | 3.1 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 11526078 | 90876 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 492 | 5 | 1 | 8 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402251 | 90876 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 492 | 5 | 1 | 8 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 68910943 | 91669 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL2419497 | 91669 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.bmcl.2016.04.030 | ||
| 44443917 | 93946 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 552 | 14 | 6 | 12 | 0.8 | CCCCNc1nc(SCCC)nc2c1ncn2[C@@H]1O[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL250832 | 93946 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 552 | 14 | 6 | 12 | 0.8 | CCCCNc1nc(SCCC)nc2c1ncn2[C@@H]1O[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| 24751997 | 62499 | 2 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 438 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784212 | 62499 | 2 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 438 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 68550683 | 190463 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 486 | 8 | 1 | 7 | 3.2 | CCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)Cc2cccc(F)c2)nc1C | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5187308 | 190463 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 486 | 8 | 1 | 7 | 3.2 | CCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)Cc2cccc(F)c2)nc1C | 10.1016/j.ejmech.2021.113924 | ||
| 45485968 | 196070 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 691 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL571599 | 196070 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 691 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24752128 | 62474 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 489 | 5 | 1 | 6 | 4.6 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784187 | 62474 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 489 | 5 | 1 | 6 | 4.6 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45269461 | 194520 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 539 | 11 | 2 | 7 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL561406 | 194520 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 539 | 11 | 2 | 7 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24752129 | 62481 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784194 | 62481 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 44457371 | 10264 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1010 | 26 | 6 | 21 | 3.3 | CCCCCCCC1O[C@H]2[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(CCCCCCC)O[C@H]34)O[C@H](n3ccc(=O)[nH]c3=O)[C@H]2O1 | 10.1021/jm701348d | ||
| CHEMBL1162189 | 10264 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 1010 | 26 | 6 | 21 | 3.3 | CCCCCCCC1O[C@H]2[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(CCCCCCC)O[C@H]34)O[C@H](n3ccc(=O)[nH]c3=O)[C@H]2O1 | 10.1021/jm701348d | ||
| 10098947 | 10242 | 0 | None | -4 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 546 | 8 | 7 | 12 | 0.3 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm701348d | ||
| CHEMBL1162163 | 10242 | 0 | None | -4 | 4 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 546 | 8 | 7 | 12 | 0.3 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm701348d | ||
| 11786496 | 10253 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(/C=C/c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162176 | 10253 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(/C=C/c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 53233471 | 62508 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1784220 | 62508 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 68911088 | 90850 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 623 | 8 | 2 | 10 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C(CCC(=O)O)C2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402142 | 90850 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 623 | 8 | 2 | 10 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C(CCC(=O)O)C2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 11504760 | 90860 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 534 | 7 | 1 | 8 | 3.9 | CC(C)CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402151 | 90860 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 534 | 7 | 1 | 8 | 3.9 | CC(C)CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 53233471 | 62508 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784220 | 62508 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24751998 | 62495 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1784208 | 62495 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45485965 | 195097 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 665 | 14 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565409 | 195097 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 665 | 14 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485910 | 195845 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 706 | 14 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570151 | 195845 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 706 | 14 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45267751 | 193219 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 595 | 12 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL540672 | 193219 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 595 | 12 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24751300 | 62483 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 483 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784196 | 62483 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 483 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24751998 | 62495 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784208 | 62495 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24751575 | 62498 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 456 | 4 | 1 | 5 | 4.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784211 | 62498 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 456 | 4 | 1 | 5 | 4.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24751709 | 62516 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3cccc(C)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784228 | 62516 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3cccc(C)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 15650877 | 199514 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.1 | Cc1c(OCCN2CCN(Cc3ccccc3)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL60353 | 199514 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 463 | 7 | 0 | 7 | 3.1 | Cc1c(OCCN2CCN(Cc3ccccc3)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 45272846 | 193981 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 540 | 12 | 3 | 8 | 1.6 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556446 | 193981 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 540 | 12 | 3 | 8 | 1.6 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24801416 | 10277 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 562 | 8 | 4 | 9 | 2.4 | O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1 | 10.1021/jm701348d | ||
| CHEMBL1162205 | 10277 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 562 | 8 | 4 | 9 | 2.4 | O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1 | 10.1021/jm701348d | ||
| 45268630 | 194414 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 570 | 14 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL560748 | 194414 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 570 | 14 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44457278 | 10246 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1040 | 18 | 6 | 25 | 2.8 | Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(Cc4ccccc4)O[C@H]23)[C@@H]2OC(Cc3ccccc3)O[C@@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162167 | 10246 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1040 | 18 | 6 | 25 | 2.8 | Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(Cc4ccccc4)O[C@H]23)[C@@H]2OC(Cc3ccccc3)O[C@@H]21 | 10.1021/jm701348d | ||
| 45485930 | 195518 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 651 | 15 | 3 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNCC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568128 | 195518 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 651 | 15 | 3 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNCC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485858 | 195646 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 610 | 13 | 3 | 9 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568824 | 195646 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 610 | 13 | 3 | 9 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485949 | 195870 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570256 | 195870 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24751438 | 62473 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784186 | 62473 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 15650865 | 100314 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 317 | 4 | 0 | 6 | 1.9 | CC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL292978 | 100314 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 317 | 4 | 0 | 6 | 1.9 | CC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 15650880 | 100567 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 425 | 5 | 0 | 9 | 3.0 | Cc1c(OCc2nnnn2C2CCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL294588 | 100567 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 425 | 5 | 0 | 9 | 3.0 | Cc1c(OCc2nnnn2C2CCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 15650878 | 199533 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 417 | 7 | 1 | 8 | 0.9 | Cc1c(OCCN2CCN(CCO)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL60362 | 199533 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 417 | 7 | 1 | 8 | 0.9 | Cc1c(OCCN2CCN(CCO)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 44452737 | 96443 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 6 | 3 | 9 | 1.7 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL265707 | 96443 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 6 | 3 | 9 | 1.7 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 44457411 | 10270 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1028 | 18 | 9 | 22 | 0.9 | O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@H]3O)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1 | 10.1021/jm701348d | ||
| CHEMBL1162197 | 10270 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 1028 | 18 | 9 | 22 | 0.9 | O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@H]3O)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1 | 10.1021/jm701348d | ||
| 16739157 | 10255 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 506 | 7 | 4 | 10 | 1.5 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162179 | 10255 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 506 | 7 | 4 | 10 | 1.5 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 44610522 | 111441 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 500 | 8 | 1 | 7 | 3.6 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)c(F)c3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288125 | 111441 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 500 | 8 | 1 | 7 | 3.6 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)c(F)c3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 11712235 | 90890 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 5 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402265 | 90890 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 5 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 11620159 | 91670 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 491 | 6 | 1 | 8 | 3.3 | CCOC(=O)c1cnc(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1021/jm400820m | ||
| CHEMBL2419498 | 91670 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 491 | 6 | 1 | 8 | 3.3 | CCOC(=O)c1cnc(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1021/jm400820m | ||
| 68916097 | 90862 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 488 | 5 | 1 | 7 | 3.3 | O=C(c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1)C1CC1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402153 | 90862 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 488 | 5 | 1 | 7 | 3.3 | O=C(c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1)C1CC1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45485943 | 195441 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 654 | 15 | 3 | 10 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCO)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567709 | 195441 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 654 | 15 | 3 | 10 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCO)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485960 | 195450 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 693 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N(CC)CC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567772 | 195450 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 693 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N(CC)CC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485928 | 195767 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 637 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569722 | 195767 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 637 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24937181 | 195773 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 596 | 12 | 3 | 9 | 2.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569732 | 195773 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 596 | 12 | 3 | 9 | 2.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485900 | 195840 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 595 | 12 | 3 | 9 | 2.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570093 | 195840 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 595 | 12 | 3 | 9 | 2.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24752269 | 62472 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784185 | 62472 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 131257 | 201083 | 3 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 401 | 4 | 0 | 5 | 4.7 | Cc1c(OCc2cccc3ccccc23)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL62094 | 201083 | 3 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 401 | 4 | 0 | 5 | 4.7 | Cc1c(OCc2cccc3ccccc23)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 44452879 | 160742 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 586 | 10 | 3 | 10 | 3.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccc(C(=O)O)cc2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL412171 | 160742 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 586 | 10 | 3 | 10 | 3.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccc(C(=O)O)cc2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45269473 | 194666 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 554 | 13 | 2 | 8 | 2.2 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL562406 | 194666 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 554 | 13 | 2 | 8 | 2.2 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45485896 | 195104 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 609 | 12 | 2 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565470 | 195104 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 609 | 12 | 2 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485934 | 195301 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 637 | 14 | 3 | 9 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566613 | 195301 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 637 | 14 | 3 | 9 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485941 | 195346 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 668 | 16 | 2 | 10 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567064 | 195346 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 668 | 16 | 2 | 10 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24751996 | 62521 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784233 | 62521 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 15650899 | 201278 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 401 | 5 | 0 | 7 | 1.9 | Cc1cc2c(=O)cc(N3CCOCC3)oc2c(C)c1OCCN1CCN(C)CC1 | 10.1021/jm00066a012 | ||
| CHEMBL63016 | 201278 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 401 | 5 | 0 | 7 | 1.9 | Cc1cc2c(=O)cc(N3CCOCC3)oc2c(C)c1OCCN1CCN(C)CC1 | 10.1021/jm00066a012 | ||
| 71740705 | 90863 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 526 | 6 | 1 | 8 | 2.9 | CCCS(=O)(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402154 | 90863 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 526 | 6 | 1 | 8 | 2.9 | CCCS(=O)(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45270300 | 193726 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 541 | 12 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL552022 | 193726 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 541 | 12 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15650869 | 201449 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 335 | 5 | 0 | 6 | 2.7 | CSCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL64144 | 201449 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 335 | 5 | 0 | 6 | 2.7 | CSCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 15650870 | 201452 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 376 | 8 | 1 | 7 | 1.6 | CCN(CCO)CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL64149 | 201452 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 376 | 8 | 1 | 7 | 1.6 | CCN(CCO)CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 45270321 | 193847 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 648 | 12 | 3 | 8 | 3.7 | NCC1CCN(c2cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCN(C(=O)OCCC4CCCC4)CC3)nc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL553856 | 193847 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 648 | 12 | 3 | 8 | 3.7 | NCC1CCN(c2cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCN(C(=O)OCCC4CCCC4)CC3)nc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 11706300 | 90857 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 520 | 7 | 1 | 8 | 3.6 | CCCCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402149 | 90857 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 520 | 7 | 1 | 8 | 3.6 | CCCCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 15982392 | 90888 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 485 | 7 | 2 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402263 | 90888 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 485 | 7 | 2 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 45485969 | 195092 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 705 | 14 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565363 | 195092 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 705 | 14 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485902 | 195749 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 637 | 12 | 2 | 9 | 2.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(C)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569629 | 195749 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 637 | 12 | 2 | 9 | 2.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(C)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485955 | 195878 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 651 | 12 | 2 | 9 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570289 | 195878 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 651 | 12 | 2 | 9 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485964 | 195891 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 691 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570388 | 195891 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 691 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24752560 | 62475 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 477 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3OC)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784188 | 62475 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 477 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3OC)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45485853 | 195677 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 626 | 17 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569053 | 195677 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 626 | 17 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45269438 | 194327 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 510 | 11 | 2 | 6 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL560009 | 194327 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 510 | 11 | 2 | 6 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24968874 | 91667 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 506 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419495 | 91667 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 506 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1021/jm400820m | ||
| 11273179 | 3249 | 4 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 10.1021/jm701348d | ||
| 1770 | 3249 | 4 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 10.1021/jm701348d | ||
| CHEMBL1162175 | 3249 | 4 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 10.1021/jm701348d | ||
| DB05553 | 3249 | 4 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 10.1021/jm701348d | ||
| 11273179 | 3249 | 4 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 10.1016/j.bmcl.2008.01.038 | ||
| 1770 | 3249 | 4 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL1162175 | 3249 | 4 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 10.1016/j.bmcl.2008.01.038 | ||
| DB05553 | 3249 | 4 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 10.1016/j.bmcl.2008.01.038 | ||
| 90644282 | 111438 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 494 | 8 | 1 | 7 | 3.6 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288122 | 111438 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 494 | 8 | 1 | 7 | 3.6 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 16739124 | 10263 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 568 | 8 | 4 | 10 | 2.8 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162188 | 10263 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 568 | 8 | 4 | 10 | 2.8 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 45485966 | 195168 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 679 | 15 | 3 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565836 | 195168 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 679 | 15 | 3 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485906 | 195818 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 666 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569988 | 195818 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 666 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485952 | 195876 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 691 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570275 | 195876 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 691 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45271155 | 193967 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 636 | 14 | 3 | 8 | 3.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556330 | 193967 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 636 | 14 | 3 | 8 | 3.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24751579 | 62490 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 418 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3OC)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784203 | 62490 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 418 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3OC)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 44457276 | 10245 | 0 | None | -87 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 878 | 15 | 8 | 21 | -1.4 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(c5ccccc5)O[C@@H]34)[C@H](O)[C@@H]2O)c(=O)[nH]1 | 10.1021/jm701348d | ||
| CHEMBL1162166 | 10245 | 0 | None | -87 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 878 | 15 | 8 | 21 | -1.4 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(c5ccccc5)O[C@@H]34)[C@H](O)[C@@H]2O)c(=O)[nH]1 | 10.1021/jm701348d | ||
| 44457392 | 10267 | 0 | None | -114 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 900 | 20 | 8 | 21 | -0.4 | CCCCCCCC1O[C@@H]2[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@H]3O)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1 | 10.1021/jm701348d | ||
| CHEMBL1162194 | 10267 | 0 | None | -114 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 900 | 20 | 8 | 21 | -0.4 | CCCCCCCC1O[C@@H]2[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@H]3O)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1 | 10.1021/jm701348d | ||
| 44610468 | 111443 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 9 | 1 | 8 | 3.5 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288127 | 111443 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 9 | 1 | 8 | 3.5 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| 54586076 | 62225 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1782536 | 62225 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 73345971 | 90868 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 3.4 | C=C(NC(=O)N1CCN(c2ncc(C(=O)OCC)cc2Cl)CC1)c1ccccc1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402243 | 90868 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 3.4 | C=C(NC(=O)N1CCN(c2ncc(C(=O)OCC)cc2Cl)CC1)c1ccccc1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45485937 | 195571 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 691 | 15 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568384 | 195571 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 691 | 15 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485859 | 195784 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 624 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569764 | 195784 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 624 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24751581 | 62189 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 402 | 5 | 1 | 5 | 2.9 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782078 | 62189 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 402 | 5 | 1 | 5 | 2.9 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 54586076 | 62225 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782536 | 62225 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 45269484 | 193992 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 671 | 14 | 2 | 9 | 3.1 | CN(CCS(C)(=O)=O)c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCCC3CCCC3)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556493 | 193992 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 671 | 14 | 2 | 9 | 3.1 | CN(CCS(C)(=O)=O)c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCCC3CCCC3)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45271145 | 193260 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 659 | 16 | 2 | 9 | 3.1 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL541745 | 193260 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 659 | 16 | 2 | 9 | 3.1 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 69224603 | 91654 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 448 | 7 | 1 | 8 | 1.9 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)CC3CCCCC3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419481 | 91654 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 448 | 7 | 1 | 8 | 1.9 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)CC3CCCCC3)C2)nc1C | 10.1021/jm400820m | ||
| 15983052 | 91655 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3C)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419482 | 91655 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3C)C2)nc1C | 10.1021/jm400820m | ||
| 24752130 | 62477 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(C)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784190 | 62477 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(C)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24752420 | 62509 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784221 | 62509 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 71740819 | 90864 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 491 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1ccc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402155 | 90864 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 491 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1ccc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45485857 | 195801 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 638 | 13 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569909 | 195801 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 638 | 13 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485938 | 195849 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 610 | 12 | 2 | 9 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570155 | 195849 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 610 | 12 | 2 | 9 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44631970 | 193180 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539733 | 193180 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 54585885 | 62501 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCCc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784214 | 62501 | 2 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCCc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 44457274 | 10244 | 0 | None | 7 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 994 | 18 | 6 | 21 | 1.1 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(Cc5ccccc5)O[C@H]34)[C@@H]3OC(Cc4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| CHEMBL1162165 | 10244 | 0 | None | 7 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 994 | 18 | 6 | 21 | 1.1 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(Cc5ccccc5)O[C@H]34)[C@@H]3OC(Cc4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| 44554515 | 111439 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288123 | 111439 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| 69224555 | 91660 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419487 | 91660 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 68556549 | 111437 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 482 | 8 | 1 | 7 | 3.7 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C(C)c3ccccc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288121 | 111437 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 482 | 8 | 1 | 7 | 3.7 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C(C)c3ccccc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 11503160 | 90882 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 443 | 6 | 2 | 8 | 1.3 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402257 | 90882 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 443 | 6 | 2 | 8 | 1.3 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 24752131 | 62512 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 475 | 5 | 1 | 6 | 3.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784224 | 62512 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 475 | 5 | 1 | 6 | 3.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45269454 | 194444 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 567 | 10 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL561007 | 194444 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 567 | 10 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45271100 | 194999 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 524 | 12 | 2 | 6 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL564552 | 194999 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 524 | 12 | 2 | 6 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15650861 | 201003 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.9 | Cc1c(OCc2ccccn2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL61623 | 201003 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.9 | Cc1c(OCc2ccccn2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 15983175 | 91659 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 460 | 7 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419486 | 91659 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 460 | 7 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 45485945 | 195402 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567468 | 195402 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485947 | 195869 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 682 | 17 | 2 | 10 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COCCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570242 | 195869 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 682 | 17 | 2 | 10 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COCCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45272055 | 193224 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 620 | 10 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL540737 | 193224 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 620 | 10 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24751995 | 62489 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784202 | 62489 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24751708 | 62517 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 420 | 5 | 1 | 5 | 3.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784229 | 62517 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 420 | 5 | 1 | 5 | 3.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 15650881 | 201453 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 399 | 4 | 0 | 9 | 2.3 | Cc1c(OCc2nnnn2C(C)(C)C)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL64153 | 201453 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 399 | 4 | 0 | 9 | 2.3 | Cc1c(OCc2nnnn2C(C)(C)C)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 44453107 | 154768 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 466 | 6 | 3 | 9 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL403010 | 154768 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 466 | 6 | 3 | 9 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45272035 | 193419 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 556 | 12 | 2 | 8 | 2.4 | COCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OC(C)C)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL549727 | 193419 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 556 | 12 | 2 | 8 | 2.4 | COCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OC(C)C)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 11570029 | 90875 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 529 | 5 | 1 | 8 | 2.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402250 | 90875 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 529 | 5 | 1 | 8 | 2.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 16739091 | 10251 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 580 | 8 | 4 | 10 | 3.3 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(/C=C/c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162172 | 10251 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 580 | 8 | 4 | 10 | 3.3 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(/C=C/c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 24752557 | 62476 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784189 | 62476 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45485916 | 195226 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 663 | 13 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566176 | 195226 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 663 | 13 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 54584960 | 62525 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 6 | 1 | 6 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCCc3cccs3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784240 | 62525 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 6 | 1 | 6 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCCc3cccs3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 45272842 | 193951 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 567 | 10 | 3 | 8 | 2.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556239 | 193951 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 567 | 10 | 3 | 8 | 2.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 16739125 | 10252 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 586 | 10 | 4 | 10 | 2.7 | CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(C#Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162173 | 10252 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 586 | 10 | 4 | 10 | 2.7 | CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(C#Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 68916926 | 139161 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 6 | 1 | 9 | 3.1 | CCc1cnc(-c2cc(C#N)c(N3CC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)C3)nc2C)o1 | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL3798029 | 139161 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 6 | 1 | 9 | 3.1 | CCc1cnc(-c2cc(C#N)c(N3CC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)C3)nc2C)o1 | 10.1016/j.bmcl.2016.04.030 | ||
| 11684912 | 90870 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 511 | 5 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402245 | 90870 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 511 | 5 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 11561528 | 90892 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 452 | 5 | 1 | 7 | 2.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402267 | 90892 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 452 | 5 | 1 | 7 | 2.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 68842714 | 90893 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 460 | 7 | 2 | 6 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2CCC(=O)O)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402268 | 90893 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 460 | 7 | 2 | 6 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2CCC(=O)O)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45485911 | 195831 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 653 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570028 | 195831 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 653 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24751572 | 62226 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 432 | 4 | 1 | 5 | 3.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Br)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782537 | 62226 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 432 | 4 | 1 | 5 | 3.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Br)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 44453110 | 154769 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 561 | 8 | 3 | 10 | 3.2 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)c2cccs2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL403011 | 154769 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 561 | 8 | 3 | 10 | 3.2 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)c2cccs2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 15983053 | 91658 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 476 | 7 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419485 | 91658 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 476 | 7 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 69224054 | 91665 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 484 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419493 | 91665 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 484 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 45485961 | 195330 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 677 | 13 | 2 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566913 | 195330 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 677 | 13 | 2 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24750723 | 62484 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 515 | 4 | 1 | 6 | 4.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784197 | 62484 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 515 | 4 | 1 | 6 | 4.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45485954 | 195877 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 637 | 13 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(N)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570285 | 195877 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 637 | 13 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(N)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45270322 | 193114 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 623 | 12 | 2 | 9 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL538415 | 193114 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 623 | 12 | 2 | 9 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24750719 | 62524 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 394 | 4 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccs3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784238 | 62524 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 394 | 4 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccs3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24799317 | 10239 | 0 | None | -5 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 529 | 8 | 4 | 12 | 0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162160 | 10239 | 0 | None | -5 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 529 | 8 | 4 | 12 | 0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 16739092 | 10250 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 588 | 12 | 4 | 10 | 3.4 | CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(/C=C/c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162171 | 10250 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 588 | 12 | 4 | 10 | 3.4 | CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(/C=C/c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 44457422 | 10273 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 1028 | 18 | 9 | 22 | 0.9 | O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)[C@@H](O)[C@H]2O)c(=O)n1 | 10.1021/jm701348d | ||
| CHEMBL1162200 | 10273 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 1028 | 18 | 9 | 22 | 0.9 | O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)[C@@H](O)[C@H]2O)c(=O)n1 | 10.1021/jm701348d | ||
| 68918061 | 90851 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402143 | 90851 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 11699088 | 90856 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 506 | 6 | 1 | 8 | 3.2 | CCCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402148 | 90856 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 506 | 6 | 1 | 8 | 3.2 | CCCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24752711 | 62505 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3cccc(F)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784218 | 62505 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3cccc(F)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45271154 | 193997 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556522 | 193997 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 25022501 | 94639 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 9 | 3 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL255349 | 94639 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 9 | 3 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 44452925 | 165871 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 558 | 9 | 3 | 11 | 1.2 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL427723 | 165871 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 558 | 9 | 3 | 11 | 1.2 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 44452982 | 94680 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 558 | 9 | 3 | 11 | 1.5 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CC(C)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL255553 | 94680 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 558 | 9 | 3 | 11 | 1.5 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CC(C)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 68911289 | 90880 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402255 | 90880 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL5206028 | 90880 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1021/jm400820m | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1021/jm400820m | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1021/jm400820m | ||
| 11993787 | 91666 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 512 | 8 | 1 | 8 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C(C)C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419494 | 91666 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 512 | 8 | 1 | 8 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C(C)C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 44452926 | 96967 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 559 | 9 | 3 | 9 | 3.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccccc2F)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL269934 | 96967 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 559 | 9 | 3 | 9 | 3.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccccc2F)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45273798 | 194015 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 542 | 11 | 3 | 8 | 1.8 | CC(C)OC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556723 | 194015 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 542 | 11 | 3 | 8 | 1.8 | CC(C)OC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 68913927 | 90887 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 505 | 6 | 2 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402262 | 90887 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 505 | 6 | 2 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 11532836 | 90897 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402272 | 90897 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 68554177 | 190687 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 9 | 1 | 7 | 3.2 | CCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)CCc2ccccc2)nc1C | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5190691 | 190687 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 9 | 1 | 7 | 3.2 | CCCC(=O)c1cc(C#N)c(N(C(=O)C2CCNCC2)S(=O)(=O)CCc2ccccc2)nc1C | 10.1016/j.ejmech.2021.113924 | ||
| 24751574 | 62224 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 379 | 4 | 1 | 6 | 2.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(C#N)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1782535 | 62224 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 379 | 4 | 1 | 6 | 2.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(C#N)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24751999 | 62488 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1784201 | 62488 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45485892 | 195359 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 609 | 14 | 4 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCC3CCNC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567189 | 195359 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 609 | 14 | 4 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCC3CCNC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485884 | 195542 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 584 | 15 | 3 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568250 | 195542 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 584 | 15 | 3 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485848 | 195711 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 571 | 14 | 2 | 9 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569319 | 195711 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 571 | 14 | 2 | 9 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485890 | 195807 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 611 | 16 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCCN(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569915 | 195807 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 611 | 16 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCCN(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485967 | 195868 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 707 | 16 | 2 | 9 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570238 | 195868 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 707 | 16 | 2 | 9 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24751574 | 62224 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 379 | 4 | 1 | 6 | 2.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782535 | 62224 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 379 | 4 | 1 | 6 | 2.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24751999 | 62488 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784201 | 62488 | 2 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 15650866 | 199639 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 360 | 7 | 0 | 6 | 2.7 | CCN(CC)CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL60422 | 199639 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 360 | 7 | 0 | 6 | 2.7 | CCN(CC)CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 45273812 | 194083 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 568 | 14 | 2 | 7 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL557535 | 194083 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 568 | 14 | 2 | 7 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44610518 | 111440 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3Cl)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288124 | 111440 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3Cl)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 90644279 | 111449 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 496 | 10 | 1 | 7 | 3.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1CCC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288133 | 111449 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 496 | 10 | 1 | 7 | 3.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1CCC | 10.1016/j.bmcl.2014.04.001 | ||
| 45485963 | 195416 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 691 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567561 | 195416 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 691 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24752561 | 62502 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 461 | 5 | 1 | 6 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784215 | 62502 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 461 | 5 | 1 | 6 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24752421 | 62511 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 529 | 5 | 1 | 6 | 4.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784223 | 62511 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 529 | 5 | 1 | 6 | 4.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 44452951 | 97305 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 549 | 10 | 4 | 10 | 2.0 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC2CC2C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL271643 | 97305 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 549 | 10 | 4 | 10 | 2.0 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC2CC2C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45485939 | 195474 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 624 | 13 | 2 | 9 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567883 | 195474 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 624 | 13 | 2 | 9 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485899 | 196067 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 609 | 12 | 3 | 9 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL571583 | 196067 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 609 | 12 | 3 | 9 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44457290 | 10247 | 0 | None | -288 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 892 | 16 | 8 | 21 | -1.6 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(Cc5ccccc5)O[C@@H]34)[C@H](O)[C@@H]2O)c(=O)[nH]1 | 10.1021/jm701348d | ||
| CHEMBL1162168 | 10247 | 0 | None | -288 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 892 | 16 | 8 | 21 | -1.6 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(Cc5ccccc5)O[C@@H]34)[C@H](O)[C@@H]2O)c(=O)[nH]1 | 10.1021/jm701348d | ||
| 45485959 | 195533 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 679 | 14 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568211 | 195533 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 679 | 14 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 23642329 | 62491 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784204 | 62491 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 45270323 | 193577 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 566 | 9 | 3 | 8 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551020 | 193577 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 566 | 9 | 3 | 8 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15650882 | 201256 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 357 | 4 | 0 | 9 | 1.0 | Cc1c(OCc2nnnn2C)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL62928 | 201256 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 357 | 4 | 0 | 9 | 1.0 | Cc1c(OCc2nnnn2C)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 45271984 | 193418 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 496 | 10 | 2 | 6 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL549724 | 193418 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 496 | 10 | 2 | 6 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45273789 | 194233 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 525 | 11 | 3 | 7 | 2.8 | CCCNc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL559126 | 194233 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 525 | 11 | 3 | 7 | 2.8 | CCCNc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267750 | 194253 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 582 | 15 | 2 | 7 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL559340 | 194253 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 582 | 15 | 2 | 7 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 16739158 | 10243 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 578 | 6 | 4 | 10 | 2.6 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(C#Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162164 | 10243 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 578 | 6 | 4 | 10 | 2.6 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(C#Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 15983055 | 91656 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 510 | 7 | 1 | 8 | 2.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419483 | 91656 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 510 | 7 | 1 | 8 | 2.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1C | 10.1021/jm400820m | ||
| 54580044 | 62526 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NC3CCCCO3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784241 | 62526 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NC3CCCCO3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 44453131 | 154925 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 509 | 8 | 4 | 10 | 0.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)CO)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL403928 | 154925 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 509 | 8 | 4 | 10 | 0.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)CO)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 11503687 | 90898 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402273 | 90898 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 2746550 | 62480 | 5 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784193 | 62480 | 5 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45485919 | 195115 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 679 | 13 | 2 | 10 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCOCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565542 | 195115 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 679 | 13 | 2 | 10 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCOCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485852 | 195748 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 612 | 16 | 2 | 9 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569617 | 195748 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 612 | 16 | 2 | 9 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485861 | 195788 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 624 | 13 | 2 | 9 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569781 | 195788 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 624 | 13 | 2 | 9 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485909 | 195836 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 680 | 14 | 2 | 10 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CC(=O)N(C)C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570053 | 195836 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 680 | 14 | 2 | 10 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CC(=O)N(C)C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45270295 | 193103 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 625 | 14 | 2 | 8 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL538171 | 193103 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 625 | 14 | 2 | 8 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 54579996 | 62496 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784209 | 62496 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 54583975 | 62515 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 5 | 1 | 5 | 3.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784227 | 62515 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 5 | 1 | 5 | 3.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 15650875 | 201518 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 386 | 5 | 0 | 6 | 3.2 | Cc1c(OCCN2CCCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL64383 | 201518 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 386 | 5 | 0 | 6 | 3.2 | Cc1c(OCCN2CCCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 4742794 | 201604 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 399 | 6 | 0 | 7 | 1.9 | C=Cc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL64734 | 201604 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 399 | 6 | 0 | 7 | 1.9 | C=Cc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 44457324 | 10254 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 993 | 18 | 6 | 22 | 1.4 | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H]4OC(Cc5ccccc5)O[C@@H]34)[C@H]3OC(Cc4ccccc4)O[C@H]32)c(=O)n1 | 10.1021/jm701348d | ||
| CHEMBL1162178 | 10254 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 993 | 18 | 6 | 22 | 1.4 | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H]4OC(Cc5ccccc5)O[C@@H]34)[C@H]3OC(Cc4ccccc4)O[C@H]32)c(=O)n1 | 10.1021/jm701348d | ||
| 11561748 | 91668 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 463 | 6 | 1 | 8 | 2.6 | CCOC(=O)c1cnc(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1 | 10.1021/jm400820m | ||
| CHEMBL2419496 | 91668 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 463 | 6 | 1 | 8 | 2.6 | CCOC(=O)c1cnc(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1 | 10.1021/jm400820m | ||
| 45268594 | 193890 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 574 | 11 | 2 | 7 | 3.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL554782 | 193890 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 574 | 11 | 2 | 7 | 3.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24801573 | 10268 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 466 | 6 | 6 | 10 | 0.2 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm701348d | ||
| CHEMBL1162195 | 10268 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 466 | 6 | 6 | 10 | 0.2 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm701348d | ||
| 24752422 | 62479 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 477 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784192 | 62479 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 477 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 11641496 | 90855 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 478 | 4 | 1 | 8 | 2.5 | COC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402147 | 90855 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 478 | 4 | 1 | 8 | 2.5 | COC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 68911008 | 90886 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 466 | 6 | 2 | 7 | 2.6 | CCOC(=O)c1cnc(N2CCC(NC(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402261 | 90886 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 466 | 6 | 2 | 7 | 2.6 | CCOC(=O)c1cnc(N2CCC(NC(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 15983546 | 91673 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 442 | 7 | 1 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419501 | 91673 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 442 | 7 | 1 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| 24752271 | 62503 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 495 | 5 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784216 | 62503 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 495 | 5 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 44457249 | 10237 | 0 | None | -12 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 1018 | 18 | 6 | 21 | 2.0 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(/C=C/c5ccccc5)O[C@H]34)[C@@H]3OC(/C=C/c4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| CHEMBL1162158 | 10237 | 0 | None | -12 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 1018 | 18 | 6 | 21 | 2.0 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(/C=C/c5ccccc5)O[C@H]34)[C@@H]3OC(/C=C/c4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| 45273819 | 193483 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 580 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL550278 | 193483 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 580 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45270314 | 193475 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 540 | 12 | 2 | 7 | 3.2 | CCCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL550206 | 193475 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 540 | 12 | 2 | 7 | 3.2 | CCCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 11569565 | 90889 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402264 | 90889 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 1746 | 2011 | 1 | None | -251 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 812 | 14 | 7 | 19 | -1.7 | O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)Cc1ccccc1)COP(=O)(OP(=O)(OP(=O)(OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O | 10.1021/jm701348d | ||
| 44457307 | 2011 | 1 | None | -251 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 812 | 14 | 7 | 19 | -1.7 | O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)Cc1ccccc1)COP(=O)(OP(=O)(OP(=O)(OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O | 10.1021/jm701348d | ||
| CHEMBL1162174 | 2011 | 1 | None | -251 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 812 | 14 | 7 | 19 | -1.7 | O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)Cc1ccccc1)COP(=O)(OP(=O)(OP(=O)(OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O | 10.1021/jm701348d | ||
| 24752270 | 62504 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784217 | 62504 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45485888 | 195286 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 582 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566520 | 195286 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 582 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44304081 | 165166 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 373 | 5 | 0 | 7 | 1.3 | CN1CCN(CCOc2ccc3c(=O)cc(N4CCOCC4)oc3c2)CC1 | 10.1021/jm00066a012 | ||
| CHEMBL424596 | 165166 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 373 | 5 | 0 | 7 | 1.3 | CN1CCN(CCOc2ccc3c(=O)cc(N4CCOCC4)oc3c2)CC1 | 10.1021/jm00066a012 | ||
| 16739093 | 10257 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 560 | 8 | 4 | 10 | 2.3 | O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(Cc3ccccc3)O[C@H]21)NC1CCCC1 | 10.1021/jm701348d | ||
| CHEMBL1162182 | 10257 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 560 | 8 | 4 | 10 | 2.3 | O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(Cc3ccccc3)O[C@H]21)NC1CCCC1 | 10.1021/jm701348d | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmc.2022.116614 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmc.2022.116614 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmc.2022.116614 | ||
| 45485862 | 195802 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569910 | 195802 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485905 | 195844 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 638 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(N)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570150 | 195844 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 638 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(N)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45269465 | 194580 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 554 | 12 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL561810 | 194580 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 554 | 12 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 11677907 | 90852 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2C)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402144 | 90852 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2C)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 45485956 | 195889 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 665 | 13 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570386 | 195889 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 665 | 13 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 71740352 | 90894 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 404 | 4 | 1 | 5 | 3.4 | CCOC(=O)c1cnc(N2CCN(C(=S)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402269 | 90894 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 404 | 4 | 1 | 5 | 3.4 | CCOC(=O)c1cnc(N2CCN(C(=S)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45485894 | 195777 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 651 | 14 | 3 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569742 | 195777 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 651 | 14 | 3 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 54580995 | 62487 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784200 | 62487 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 15983672 | 91663 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 488 | 7 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419491 | 91663 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 488 | 7 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 11663657 | 90871 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402246 | 90871 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 11656053 | 90878 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402253 | 90878 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 68914580 | 90881 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 6 | 2 | 7 | 1.8 | CCOC(=O)c1cnc(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402256 | 90881 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 6 | 2 | 7 | 1.8 | CCOC(=O)c1cnc(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24751712 | 62500 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784213 | 62500 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 44452947 | 154648 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 526 | 9 | 3 | 10 | 2.5 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL402401 | 154648 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 526 | 9 | 3 | 10 | 2.5 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45485863 | 195789 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569815 | 195789 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45270294 | 193658 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 541 | 12 | 3 | 8 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCN)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551619 | 193658 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 541 | 12 | 3 | 8 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCN)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 54584163 | 62227 | 1 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 354 | 4 | 1 | 5 | 2.6 | CCOC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782538 | 62227 | 1 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 354 | 4 | 1 | 5 | 2.6 | CCOC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1 | 10.1016/j.bmcl.2011.03.088 | ||
| 11519648 | 90869 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 551 | 5 | 1 | 9 | 3.1 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402244 | 90869 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 551 | 5 | 1 | 9 | 3.1 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 1765 | 3757 | 94 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1039/D1MD00128K | ||
| 4184 | 3757 | 94 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1039/D1MD00128K | ||
| 9871419 | 3757 | 94 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1039/D1MD00128K | ||
| CHEMBL398435 | 3757 | 94 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1039/D1MD00128K | ||
| DB08816 | 3757 | 94 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1039/D1MD00128K | ||
| 45485962 | 195354 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 677 | 12 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567133 | 195354 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 677 | 12 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44631970 | 193180 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539733 | 193180 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267722 | 194426 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 498 | 9 | 2 | 7 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL560882 | 194426 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 498 | 9 | 2 | 7 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44452898 | 94640 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 586 | 10 | 3 | 10 | 3.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL255350 | 94640 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 586 | 10 | 3 | 10 | 3.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45485935 | 195374 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 665 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567271 | 195374 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 665 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45139236 | 195890 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 693 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570387 | 195890 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 693 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45273782 | 193836 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 581 | 11 | 3 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL553654 | 193836 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 581 | 11 | 3 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15650862 | 199744 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.9 | Cc1c(OCc2cccnc2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL60481 | 199744 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 352 | 4 | 0 | 6 | 2.9 | Cc1c(OCc2cccnc2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 15650876 | 200689 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 1.2 | Cc1c(OCCN2CCNCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL61062 | 200689 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 1.2 | Cc1c(OCCN2CCNCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 4742793 | 201259 | 1 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 401 | 6 | 0 | 7 | 1.8 | CCc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL62939 | 201259 | 1 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 401 | 6 | 0 | 7 | 1.8 | CCc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 15650873 | 201703 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 374 | 5 | 0 | 7 | 1.6 | Cc1c(OCCN2CCOCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL65466 | 201703 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 374 | 5 | 0 | 7 | 1.6 | Cc1c(OCCN2CCOCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 15650872 | 201855 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 358 | 5 | 0 | 6 | 2.4 | Cc1c(OCCN2CCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL66594 | 201855 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 358 | 5 | 0 | 6 | 2.4 | Cc1c(OCCN2CCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 11595497 | 201457 | 4 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 351 | 4 | 0 | 5 | 3.5 | Cc1c(OCc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL64162 | 201457 | 4 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 351 | 4 | 0 | 5 | 3.5 | Cc1c(OCc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 16739094 | 10259 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 520 | 8 | 4 | 10 | 1.3 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162184 | 10259 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 520 | 8 | 4 | 10 | 1.3 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 45485889 | 195313 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 610 | 14 | 2 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(OCC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566745 | 195313 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 610 | 14 | 2 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(OCC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45268642 | 193945 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 645 | 15 | 2 | 9 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556142 | 193945 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 645 | 15 | 2 | 9 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15650856 | 100555 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 275 | 2 | 0 | 5 | 1.9 | COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL294535 | 100555 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 275 | 2 | 0 | 5 | 1.9 | COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 15650888 | 201864 | 1 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 387 | 4 | 0 | 5 | 4.4 | O=c1cc(N2CCOCC2)oc2cc(OCc3cccc4ccccc34)ccc12 | 10.1021/jm00066a012 | ||
| CHEMBL66647 | 201864 | 1 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 387 | 4 | 0 | 5 | 4.4 | O=c1cc(N2CCOCC2)oc2cc(OCc3cccc4ccccc34)ccc12 | 10.1021/jm00066a012 | ||
| 44610519 | 111442 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 504 | 8 | 1 | 7 | 3.4 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288126 | 111442 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 504 | 8 | 1 | 7 | 3.4 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 24751850 | 62492 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784205 | 62492 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 45272861 | 193810 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 584 | 15 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL552971 | 193810 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 584 | 15 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15650874 | 201780 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 5 | 0 | 7 | 2.4 | Cc1c(OCCN2CCSCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL66027 | 201780 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 5 | 0 | 7 | 2.4 | Cc1c(OCCN2CCSCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 15650867 | 101819 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 408 | 7 | 0 | 6 | 3.8 | CCN(CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C)c1ccccc1 | 10.1021/jm00066a012 | ||
| CHEMBL303366 | 101819 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 408 | 7 | 0 | 6 | 3.8 | CCN(CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C)c1ccccc1 | 10.1021/jm00066a012 | ||
| 15650864 | 199634 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 379 | 5 | 0 | 6 | 3.2 | Cc1c(OCC(=O)c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL60420 | 199634 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 379 | 5 | 0 | 6 | 3.2 | Cc1c(OCC(=O)c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 44453009 | 154677 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 577 | 11 | 3 | 11 | 2.5 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC2CC2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL402592 | 154677 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 577 | 11 | 3 | 11 | 2.5 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC2CC2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45485851 | 195756 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 597 | 13 | 2 | 9 | 2.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCCO3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569681 | 195756 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 597 | 13 | 2 | 9 | 2.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCCO3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45272036 | 193913 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 570 | 14 | 2 | 8 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL555342 | 193913 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 570 | 14 | 2 | 8 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15650858 | 198912 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 381 | 5 | 0 | 6 | 3.5 | COc1ccccc1COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL59922 | 198912 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 381 | 5 | 0 | 6 | 3.5 | COc1ccccc1COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 24752419 | 62506 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3cccc(C)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784219 | 62506 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3cccc(C)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24751576 | 62520 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 470 | 5 | 1 | 5 | 4.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784232 | 62520 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 470 | 5 | 1 | 5 | 4.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 45270296 | 193659 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 497 | 9 | 3 | 7 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551620 | 193659 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 497 | 9 | 3 | 7 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24799834 | 10265 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 461 | 6 | 3 | 10 | 1.2 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(/C=C/c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162190 | 10265 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 461 | 6 | 3 | 10 | 1.2 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(/C=C/c3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 122192512 | 123292 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 445 | 7 | 5 | 12 | 0.9 | CCCSc1nc(N/N=C/c2cccc(O)c2)c2nnn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1039/D1MD00128K | ||
| CHEMBL3623467 | 123292 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 445 | 7 | 5 | 12 | 0.9 | CCCSc1nc(N/N=C/c2cccc(O)c2)c2nnn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1039/D1MD00128K | ||
| 24751710 | 62518 | 2 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784230 | 62518 | 2 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 54583974 | 62497 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 4 | 1 | 5 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784210 | 62497 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 4 | 1 | 5 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 44457292 | 10248 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 914 | 16 | 5 | 19 | 1.0 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(Cc5ccccc5)O[C@H]34)[C@@H]3OC(Cc4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| CHEMBL1162169 | 10248 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 914 | 16 | 5 | 19 | 1.0 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(Cc5ccccc5)O[C@H]34)[C@@H]3OC(Cc4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| 11497605 | 90872 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402247 | 90872 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 11691323 | 90879 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 470 | 5 | 1 | 7 | 2.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402254 | 90879 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 470 | 5 | 1 | 7 | 2.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 15650857 | 198745 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 381 | 5 | 0 | 6 | 3.5 | COc1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2C)cc1 | 10.1021/jm00066a012 | ||
| CHEMBL59822 | 198745 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 381 | 5 | 0 | 6 | 3.5 | COc1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2C)cc1 | 10.1021/jm00066a012 | ||
| 44452736 | 95718 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 6 | 3 | 9 | 1.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL260602 | 95718 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 6 | 3 | 9 | 1.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 44457401 | 10269 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 993 | 18 | 6 | 22 | 1.4 | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1 | 10.1021/jm701348d | ||
| CHEMBL1162196 | 10269 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 993 | 18 | 6 | 22 | 1.4 | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1 | 10.1021/jm701348d | ||
| 44453109 | 154716 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 545 | 8 | 3 | 10 | 2.7 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL402800 | 154716 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 545 | 8 | 3 | 10 | 2.7 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45485957 | 195880 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 650 | 13 | 3 | 8 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570295 | 195880 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 650 | 13 | 3 | 8 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485920 | 196068 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 623 | 13 | 3 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL571584 | 196068 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 623 | 13 | 3 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24750874 | 62513 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 529 | 6 | 1 | 6 | 4.9 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3nc(C(F)(F)F)c(C(=O)OCC)cc3C#N)CC2)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784225 | 62513 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 529 | 6 | 1 | 6 | 4.9 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3nc(C(F)(F)F)c(C(=O)OCC)cc3C#N)CC2)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 45485864 | 195311 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 654 | 16 | 2 | 9 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566720 | 195311 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 654 | 16 | 2 | 9 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44453032 | 97394 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 494 | 8 | 3 | 9 | 2.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL272113 | 97394 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 494 | 8 | 3 | 9 | 2.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 54579997 | 62519 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 432 | 6 | 1 | 6 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784231 | 62519 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 432 | 6 | 1 | 6 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 15650871 | 201632 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 5 | 0 | 6 | 2.8 | Cc1c(OCCN2CCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL64863 | 201632 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 5 | 0 | 6 | 2.8 | Cc1c(OCCN2CCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 24752558 | 90865 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 481 | 6 | 1 | 7 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCCc3cccs3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402156 | 90865 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 481 | 6 | 1 | 7 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCCc3cccs3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 45485915 | 195846 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 663 | 13 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570152 | 195846 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 663 | 13 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485912 | 195837 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 653 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570060 | 195837 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 653 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44453132 | 97575 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 9 | 4 | 10 | 1.4 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL272975 | 97575 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 9 | 4 | 10 | 1.4 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 24801414 | 10240 | 0 | None | 263 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 648 | 10 | 5 | 12 | 2.9 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162161 | 10240 | 0 | None | 263 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 648 | 10 | 5 | 12 | 2.9 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 45485901 | 195843 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 595 | 12 | 3 | 9 | 2.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCNCC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570149 | 195843 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 595 | 12 | 3 | 9 | 2.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCNCC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44457251 | 10238 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1278 | 22 | 8 | 25 | 6.9 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)Nc5ccccc5)ncnc43)[C@@H]3O[C@H](Cc4ccccc4)O[C@H]23)[C@@H]2O[C@H](Cc3ccccc3)O[C@@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162159 | 10238 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1278 | 22 | 8 | 25 | 6.9 | O=C(Nc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)Nc5ccccc5)ncnc43)[C@@H]3O[C@H](Cc4ccccc4)O[C@H]23)[C@@H]2O[C@H](Cc3ccccc3)O[C@@H]21 | 10.1021/jm701348d | ||
| 16739123 | 10260 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 576 | 12 | 4 | 10 | 2.9 | CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162185 | 10260 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 576 | 12 | 4 | 10 | 2.9 | CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 11627571 | 90859 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 506 | 5 | 1 | 8 | 3.2 | CC(C)OC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402150 | 90859 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 506 | 5 | 1 | 8 | 3.2 | CC(C)OC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45485908 | 195835 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 680 | 14 | 2 | 10 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570045 | 195835 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 680 | 14 | 2 | 10 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 71740353 | 90895 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 2.6 | CCOC(=O)c1cnc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402270 | 90895 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 2.6 | CCOC(=O)c1cnc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 45485942 | 195850 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 668 | 16 | 2 | 10 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OCCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570156 | 195850 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 668 | 16 | 2 | 10 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OCCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 15650887 | 201555 | 1 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 338 | 4 | 0 | 6 | 2.6 | O=c1cc(N2CCOCC2)oc2cc(OCc3ccccn3)ccc12 | 10.1021/jm00066a012 | ||
| CHEMBL64555 | 201555 | 1 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 338 | 4 | 0 | 6 | 2.6 | O=c1cc(N2CCOCC2)oc2cc(OCc3ccccn3)ccc12 | 10.1021/jm00066a012 | ||
| 15982393 | 90891 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 471 | 6 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402266 | 90891 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 471 | 6 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 45272869 | 193811 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 609 | 13 | 3 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL552972 | 193811 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 609 | 13 | 3 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 54579995 | 62482 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784195 | 62482 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 44457249 | 10237 | 0 | None | -12 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1018 | 18 | 6 | 21 | 2.0 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(/C=C/c5ccccc5)O[C@H]34)[C@@H]3OC(/C=C/c4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| CHEMBL1162158 | 10237 | 0 | None | -12 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 1018 | 18 | 6 | 21 | 2.0 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(/C=C/c5ccccc5)O[C@H]34)[C@@H]3OC(/C=C/c4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| 45485932 | 195482 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 677 | 14 | 2 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567915 | 195482 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 677 | 14 | 2 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45267721 | 195047 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 538 | 13 | 2 | 6 | 4.0 | CCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL564981 | 195047 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 538 | 13 | 2 | 6 | 4.0 | CCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44608149 | 111445 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288129 | 111445 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 68911155 | 90885 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 6 | 2 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402260 | 90885 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 6 | 2 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 24799835 | 10262 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 459 | 4 | 3 | 10 | 0.6 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(C#Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| CHEMBL1162187 | 10262 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 459 | 4 | 3 | 10 | 0.6 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2OC(C#Cc3ccccc3)O[C@H]21 | 10.1021/jm701348d | ||
| 45272054 | 193223 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 635 | 11 | 3 | 8 | 3.5 | O=C(O)CC[C@H](NC(=O)c1cc(N2CCC(O)CC2)cc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCC2CCCC2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL540736 | 193223 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 635 | 11 | 3 | 8 | 3.5 | O=C(O)CC[C@H](NC(=O)c1cc(N2CCC(O)CC2)cc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCC2CCCC2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 69224988 | 91664 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 500 | 8 | 1 | 9 | 2.3 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(OC)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419492 | 91664 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 500 | 8 | 1 | 9 | 2.3 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(OC)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 68911027 | 90854 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 483 | 5 | 1 | 8 | 1.9 | CCOC(=O)c1cc(C#N)c(N2CC3CN(C(=O)NS(=O)(=O)c4ccccc4)CC3C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402146 | 90854 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 483 | 5 | 1 | 8 | 1.9 | CCOC(=O)c1cc(C#N)c(N2CC3CN(C(=O)NS(=O)(=O)c4ccccc4)CC3C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 44452952 | 154529 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 647 | 13 | 4 | 11 | 2.4 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC2CC2C(=O)O)CC2CC2C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL401780 | 154529 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 647 | 13 | 4 | 11 | 2.4 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC2CC2C(=O)O)CC2CC2C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 24750561 | 62522 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 470 | 6 | 1 | 5 | 4.7 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ncc(C(=O)OCC)cc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784234 | 62522 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 470 | 6 | 1 | 5 | 4.7 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ncc(C(=O)OCC)cc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 45267728 | 194532 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 542 | 12 | 2 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL561484 | 194532 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 542 | 12 | 2 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15650859 | 101735 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 301 | 4 | 0 | 5 | 2.5 | C=CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL302875 | 101735 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 301 | 4 | 0 | 5 | 2.5 | C=CCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 68556579 | 111444 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 482 | 8 | 1 | 7 | 3.4 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288128 | 111444 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 482 | 8 | 1 | 7 | 3.4 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 15650886 | 100170 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 347 | 4 | 0 | 7 | 1.8 | COC(=O)COc1ccc2c(=O)c(C)c(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL292047 | 100170 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 347 | 4 | 0 | 7 | 1.8 | COC(=O)COc1ccc2c(=O)c(C)c(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 44452878 | 96630 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 586 | 10 | 3 | 10 | 3.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2cccc(C(=O)O)c2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL267283 | 96630 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 586 | 10 | 3 | 10 | 3.6 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2cccc(C(=O)O)c2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45273811 | 194822 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 552 | 13 | 2 | 7 | 3.4 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL563429 | 194822 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 552 | 13 | 2 | 7 | 3.4 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45485933 | 195848 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 637 | 14 | 3 | 9 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570154 | 195848 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 637 | 14 | 3 | 9 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45271092 | 194770 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 482 | 9 | 2 | 6 | 2.4 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL563041 | 194770 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 482 | 9 | 2 | 6 | 2.4 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45485886 | 195806 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 596 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569914 | 195806 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 596 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485950 | 195872 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 652 | 15 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570263 | 195872 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 652 | 15 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24750876 | 62510 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 491 | 6 | 1 | 7 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(OC)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784222 | 62510 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 491 | 6 | 1 | 7 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(OC)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45273818 | 193179 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 623 | 13 | 3 | 8 | 3.5 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539732 | 193179 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 623 | 13 | 3 | 8 | 3.5 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 54580993 | 62470 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 489 | 5 | 1 | 6 | 4.6 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784178 | 62470 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 489 | 5 | 1 | 6 | 4.6 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 15983670 | 91657 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C)c3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419484 | 91657 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C)c3)C2)nc1C | 10.1021/jm400820m | ||
| 45485903 | 195841 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 637 | 12 | 2 | 9 | 2.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(C)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570108 | 195841 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 637 | 12 | 2 | 9 | 2.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(C)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 15650860 | 201157 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 401 | 4 | 0 | 5 | 4.7 | Cc1c(OCc2ccc3ccccc3c2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL62470 | 201157 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 401 | 4 | 0 | 5 | 4.7 | Cc1c(OCc2ccc3ccccc3c2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 44457294 | 10249 | 0 | None | -125 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 938 | 16 | 8 | 25 | 0.2 | Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(Cc4ccccc4)O[C@H]23)[C@H](O)[C@@H]1O | 10.1021/jm701348d | ||
| CHEMBL1162170 | 10249 | 0 | None | -125 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 938 | 16 | 8 | 25 | 0.2 | Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(Cc4ccccc4)O[C@H]23)[C@H](O)[C@@H]1O | 10.1021/jm701348d | ||
| 45485914 | 195838 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 649 | 12 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570064 | 195838 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 649 | 12 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44452921 | 94819 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 480 | 7 | 3 | 9 | 2.2 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL256251 | 94819 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 480 | 7 | 3 | 9 | 2.2 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 2746549 | 62223 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 447 | 4 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1782534 | 62223 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 447 | 4 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 2746549 | 62223 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 447 | 4 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782534 | 62223 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 447 | 4 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45485946 | 196098 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(COC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL571812 | 196098 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(COC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 68913220 | 90853 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 509 | 5 | 1 | 9 | 2.5 | CCOC(=O)c1cc(C#N)c(N2C[C@@H]3C[C@H]2CN3C(=O)NS(=O)(=O)c2ccc(Cl)s2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402145 | 90853 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 509 | 5 | 1 | 9 | 2.5 | CCOC(=O)c1cc(C#N)c(N2C[C@@H]3C[C@H]2CN3C(=O)NS(=O)(=O)c2ccc(Cl)s2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 45485953 | 195888 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 637 | 13 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570385 | 195888 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 637 | 13 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 15650898 | 201162 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 415 | 7 | 0 | 7 | 2.2 | CCCc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL62500 | 201162 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 415 | 7 | 0 | 7 | 2.2 | CCCc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 11569565 | 90889 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL2402264 | 90889 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.bmcl.2016.04.030 | ||
| 24751577 | 62514 | 2 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784226 | 62514 | 2 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 45485856 | 195798 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 654 | 16 | 2 | 10 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCCN3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569889 | 195798 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 654 | 16 | 2 | 10 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCCN3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 15650868 | 198889 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 319 | 5 | 0 | 6 | 2.0 | COCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL59911 | 198889 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 319 | 5 | 0 | 6 | 2.0 | COCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 68911120 | 91662 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 456 | 6 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419489 | 91662 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 456 | 6 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C | 10.1021/jm400820m | ||
| 45272902 | 194042 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 468 | 9 | 2 | 7 | 1.7 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL557062 | 194042 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 468 | 9 | 2 | 7 | 1.7 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45485898 | 195500 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 609 | 12 | 3 | 9 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568059 | 195500 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 609 | 12 | 3 | 9 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 73294137 | 91661 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 472 | 8 | 2 | 9 | 1.0 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(CO)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419488 | 91661 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 472 | 8 | 2 | 9 | 1.0 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(CO)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 45485922 | 195392 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 637 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567416 | 195392 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 637 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45267707 | 194295 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 469 | 9 | 2 | 8 | 1.1 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL559689 | 194295 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 469 | 9 | 2 | 8 | 1.1 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45270288 | 193602 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 527 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551217 | 193602 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 527 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44457338 | 10256 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1056 | 20 | 10 | 25 | -0.4 | CNc1ccccc1C(=O)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2OC(=O)c2ccccc2NC)O[C@@H]1n1ccc(=O)[nH]c1=O | 10.1021/jm701348d | ||
| CHEMBL1162181 | 10256 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 1056 | 20 | 10 | 25 | -0.4 | CNc1ccccc1C(=O)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2OC(=O)c2ccccc2NC)O[C@@H]1n1ccc(=O)[nH]c1=O | 10.1021/jm701348d | ||
| 25165435 | 111448 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 484 | 9 | 1 | 8 | 2.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1OC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288132 | 111448 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 484 | 9 | 1 | 8 | 2.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1OC | 10.1016/j.bmcl.2014.04.001 | ||
| 54581027 | 62523 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 487 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784235 | 62523 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 487 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 45269483 | 193125 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 603 | 12 | 2 | 9 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL538645 | 193125 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 603 | 12 | 2 | 9 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45272881 | 193192 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 651 | 15 | 2 | 8 | 4.4 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539983 | 193192 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 651 | 15 | 2 | 8 | 4.4 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267738 | 194681 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 528 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL562485 | 194681 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 528 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45271162 | 193640 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 544 | 10 | 2 | 7 | 3.4 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551484 | 193640 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 544 | 10 | 2 | 7 | 3.4 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45485921 | 195343 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 623 | 13 | 3 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CN)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567050 | 195343 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 623 | 13 | 3 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CN)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485929 | 195847 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 651 | 15 | 3 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570153 | 195847 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 651 | 15 | 3 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45273820 | 193181 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539734 | 193181 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 68913141 | 90883 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 477 | 6 | 2 | 8 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402258 | 90883 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 477 | 6 | 2 | 8 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 45485918 | 195299 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 679 | 13 | 2 | 10 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566599 | 195299 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 679 | 13 | 2 | 10 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45269472 | 194665 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 556 | 13 | 3 | 8 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL562405 | 194665 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 556 | 13 | 3 | 8 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45485849 | 195753 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 585 | 15 | 2 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569679 | 195753 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 585 | 15 | 2 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 90644280 | 111447 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 504 | 9 | 1 | 7 | 3.7 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C(F)F | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288131 | 111447 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 504 | 9 | 1 | 7 | 3.7 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C(F)F | 10.1016/j.bmcl.2014.04.001 | ||
| 68911205 | 91671 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 496 | 6 | 1 | 9 | 2.9 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419499 | 91671 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 496 | 6 | 1 | 9 | 2.9 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1021/jm400820m | ||
| 15650883 | 162722 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 5 | 0 | 9 | 2.5 | Cc1c(OCc2nnnn2-c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL418660 | 162722 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 5 | 0 | 9 | 2.5 | Cc1c(OCc2nnnn2-c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 44241562 | 194758 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 6 | 2 | 8 | 1.2 | Cc1ccc(S(=O)(=O)Oc2cc(N)nc(SCCN)n2)cc1 | 10.1016/j.bmc.2009.04.061 | ||
| CHEMBL562982 | 194758 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 6 | 2 | 8 | 1.2 | Cc1ccc(S(=O)(=O)Oc2cc(N)nc(SCCN)n2)cc1 | 10.1016/j.bmc.2009.04.061 | ||
| 45485936 | 195378 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 691 | 15 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567280 | 195378 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 691 | 15 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485897 | 195463 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 609 | 12 | 2 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567840 | 195463 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 609 | 12 | 2 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24829943 | 194240 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 527 | 11 | 4 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL559259 | 194240 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 527 | 11 | 4 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45268619 | 193834 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 573 | 11 | 3 | 7 | 3.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL553572 | 193834 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 573 | 11 | 3 | 7 | 3.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15983301 | 90884 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 457 | 7 | 2 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402259 | 90884 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 457 | 7 | 2 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 44457262 | 10241 | 0 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 966 | 16 | 6 | 21 | 1.3 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(c5ccccc5)O[C@H]34)[C@@H]3OC(c4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| CHEMBL1162162 | 10241 | 0 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 966 | 16 | 6 | 21 | 1.3 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(c5ccccc5)O[C@H]34)[C@@H]3OC(c4ccccc4)O[C@@H]32)c(=O)[nH]1 | 10.1021/jm701348d | ||
| 24750557 | 62485 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 497 | 4 | 1 | 6 | 4.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784198 | 62485 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 497 | 4 | 1 | 6 | 4.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 11697626 | 91672 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 428 | 6 | 1 | 8 | 1.4 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419500 | 91672 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 428 | 6 | 1 | 8 | 1.4 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| 24751851 | 62494 | 2 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784207 | 62494 | 2 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 4742792 | 198944 | 9 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 387 | 5 | 0 | 7 | 1.6 | Cc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL59941 | 198944 | 9 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 387 | 5 | 0 | 7 | 1.6 | Cc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 45271128 | 193259 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 580 | 11 | 4 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL541742 | 193259 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 580 | 11 | 4 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 54580185 | 62230 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.7 | CC(C)OC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782542 | 62230 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.7 | CC(C)OC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 45485931 | 195190 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 679 | 16 | 2 | 9 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565974 | 195190 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 679 | 16 | 2 | 9 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 54585098 | 62229 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 374 | 3 | 1 | 5 | 2.9 | COC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782541 | 62229 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 374 | 3 | 1 | 5 | 2.9 | COC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 44457247 | 10236 | 0 | None | -85 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 904 | 16 | 8 | 21 | -1.1 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(/C=C/c5ccccc5)O[C@H]34)[C@H](O)[C@@H]2O)c(=O)[nH]1 | 10.1021/jm701348d | ||
| CHEMBL1162157 | 10236 | 0 | None | -85 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 904 | 16 | 8 | 21 | -1.1 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(/C=C/c5ccccc5)O[C@H]34)[C@H](O)[C@@H]2O)c(=O)[nH]1 | 10.1021/jm701348d | ||
| 45485855 | 195797 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 654 | 16 | 2 | 10 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCN3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569884 | 195797 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 654 | 16 | 2 | 10 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCN3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485917 | 195822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 665 | 12 | 2 | 10 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569995 | 195822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 665 | 12 | 2 | 10 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44457247 | 10236 | 0 | None | -85 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 904 | 16 | 8 | 21 | -1.1 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(/C=C/c5ccccc5)O[C@H]34)[C@H](O)[C@@H]2O)c(=O)[nH]1 | 10.1021/jm701348d | ||
| CHEMBL1162157 | 10236 | 0 | None | -85 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 904 | 16 | 8 | 21 | -1.1 | O=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]4OC(/C=C/c5ccccc5)O[C@H]34)[C@H](O)[C@@H]2O)c(=O)[nH]1 | 10.1021/jm701348d | ||
| 11627317 | 90861 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 490 | 6 | 1 | 7 | 3.7 | CCCC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402152 | 90861 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 490 | 6 | 1 | 7 | 3.7 | CCCC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 15650897 | 199131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 413 | 7 | 0 | 7 | 2.0 | C=CCc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| CHEMBL60083 | 199131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 413 | 7 | 0 | 7 | 2.0 | C=CCc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 | 10.1021/jm00066a012 | ||
| 11706351 | 90873 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402248 | 90873 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 45142449 | 194656 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 542 | 12 | 3 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL562344 | 194656 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 542 | 12 | 3 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 15650863 | 199346 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 333 | 4 | 0 | 7 | 1.5 | COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| CHEMBL60240 | 199346 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 333 | 4 | 0 | 7 | 1.5 | COC(=O)COc1ccc2c(=O)cc(N3CCOCC3)oc2c1C | 10.1021/jm00066a012 | ||
| 90644281 | 111446 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 486 | 9 | 1 | 7 | 3.3 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1CF | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288130 | 111446 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 486 | 9 | 1 | 7 | 3.3 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1CF | 10.1016/j.bmcl.2014.04.001 | ||
| 45485958 | 195447 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 665 | 14 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567740 | 195447 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 665 | 14 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485904 | 195842 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 638 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570128 | 195842 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 638 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485860 | 195785 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 624 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569771 | 195785 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 624 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45268641 | 193170 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 579 | 11 | 3 | 8 | 2.3 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539661 | 193170 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 579 | 11 | 3 | 8 | 2.3 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24752559 | 62478 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784191 | 62478 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24751297 | 62486 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 475 | 6 | 1 | 6 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCCc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784199 | 62486 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 475 | 6 | 1 | 6 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCCc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24751711 | 62493 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 418 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784206 | 62493 | 2 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 418 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 11699570 | 90874 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402249 | 90874 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 54580994 | 62471 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)N(C)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784184 | 62471 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)N(C)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24829780 | 194791 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 567 | 9 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL563183 | 194791 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 567 | 9 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 68910943 | 91669 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419497 | 91669 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1021/jm400820m | ||
| 11684524 | 90877 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402252 | 90877 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24751017 | 90896 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 432 | 4 | 1 | 6 | 2.7 | CCOC(=O)c1cnc(N2CCN(C(=S)NC(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402271 | 90896 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 432 | 4 | 1 | 6 | 2.7 | CCOC(=O)c1cnc(N2CCN(C(=S)NC(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 44452977 | 95117 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 542 | 10 | 4 | 11 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(O)CO)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| CHEMBL257651 | 95117 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 542 | 10 | 4 | 11 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(O)CO)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 | 10.1016/j.bmcl.2008.01.038 | ||
| 45272880 | 193812 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 595 | 11 | 2 | 8 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL552973 | 193812 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 595 | 11 | 2 | 8 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44583582 | 3155 | 3 | None | - | 1 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/acs.jmedchem.7b00030 | ||
| 5904 | 3155 | 3 | None | - | 1 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/acs.jmedchem.7b00030 | ||
| 59448166 | 3155 | 3 | None | - | 1 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL1207916 | 3155 | 3 | None | - | 1 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL455536 | 3155 | 3 | None | - | 1 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/acs.jmedchem.7b00030 | ||
| 44583582 | 3155 | 3 | None | - | 1 | Human | 9.8 | pA2 | = | 9.8 | Functional | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19690189 | ||
| 5904 | 3155 | 3 | None | - | 1 | Human | 9.8 | pA2 | = | 9.8 | Functional | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19690189 | ||
| 59448166 | 3155 | 3 | None | - | 1 | Human | 9.8 | pA2 | = | 9.8 | Functional | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19690189 | ||
| CHEMBL1207916 | 3155 | 3 | None | - | 1 | Human | 9.8 | pA2 | = | 9.8 | Functional | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19690189 | ||
| CHEMBL455536 | 3155 | 3 | None | - | 1 | Human | 9.8 | pA2 | = | 9.8 | Functional | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19690189 | ||
| 1765 | 3757 | 94 | None | -2 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| 4184 | 3757 | 94 | None | -2 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| 9871419 | 3757 | 94 | None | -2 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| CHEMBL398435 | 3757 | 94 | None | -2 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| DB08816 | 3757 | 94 | None | -2 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| 1776 | 775 | 34 | None | -2 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
| 5006 | 775 | 34 | None | -2 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
| 9854012 | 775 | 34 | None | -2 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
| CHEMBL334966 | 775 | 34 | None | -2 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
| DB06441 | 775 | 34 | None | -2 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | None | ||
| 10340 | 1100 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 468 | 5 | 1 | 8 | 2.2 | N#Cc1cc2C(=O)OCc2nc1N1CCC(CC1)(C)C(=O)NS(=O)(=O)Cc1ccc(cc1)C | 30843696 | ||
| 137553172 | 1100 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 468 | 5 | 1 | 8 | 2.2 | N#Cc1cc2C(=O)OCc2nc1N1CCC(CC1)(C)C(=O)NS(=O)(=O)Cc1ccc(cc1)C | 30843696 | ||
| 1764 | 76 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 393 | 5 | 5 | 11 | -1.1 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O | 11502873 | ||
| 189762 | 76 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 393 | 5 | 5 | 11 | -1.1 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O | 11502873 | ||
| CHEMBL606240 | 76 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 393 | 5 | 5 | 11 | -1.1 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O | 11502873 | ||
| 1732 | 446 | 0 | None | -5 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 832 | 14 | 6 | 29 | -5.0 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
| 25243905 | 446 | 0 | None | -5 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 832 | 14 | 6 | 29 | -5.0 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12815166 | ||
| 16741348 | 746 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 558 | 10 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(OC(C(=O)O)(C)C)c2c(n1)cc(cc2)C)CCC(=O)O | 18539312 | ||
| 1766 | 746 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 558 | 10 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(OC(C(=O)O)(C)C)c2c(n1)cc(cc2)C)CCC(=O)O | 18539312 | ||
| 139031067 | 1092 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | Guide to Pharmacology | 900 | 14 | 10 | 24 | 0.1 | O[C@H]1C(COP(=O)(OP(=O)(C(P(=O)(OP(=O)(OC[C@H]2O[C@H](C([C@H]2O)O)n2cnc3c2ncnc3N)S)O)Cl)O)S)O[C@H]([C@H]1O)n1cnc2c1ncnc2N | 23083103 | ||
| 6148 | 1092 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | Guide to Pharmacology | 900 | 14 | 10 | 24 | 0.1 | O[C@H]1C(COP(=O)(OP(=O)(C(P(=O)(OP(=O)(OC[C@H]2O[C@H](C([C@H]2O)O)n2cnc3c2ncnc3N)S)O)Cl)O)S)O[C@H]([C@H]1O)n1cnc2c1ncnc2N | 23083103 | ||
| 73755176 | 1092 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | Guide to Pharmacology | 900 | 14 | 10 | 24 | 0.1 | O[C@H]1C(COP(=O)(OP(=O)(C(P(=O)(OP(=O)(OC[C@H]2O[C@H](C([C@H]2O)O)n2cnc3c2ncnc3N)S)O)Cl)O)S)O[C@H]([C@H]1O)n1cnc2c1ncnc2N | 23083103 | ||
| 3384 | 470 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 615 | 11 | 7 | 14 | 0.6 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O | 7582510 | ||
| 3384 | 470 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 615 | 11 | 7 | 14 | 0.6 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O | 7858849 | ||
| 5311009 | 470 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 615 | 11 | 7 | 14 | 0.6 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O | 7582510 | ||
| 5311009 | 470 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 615 | 11 | 7 | 14 | 0.6 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O | 7858849 | ||
| CHEMBL1160359 | 470 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 615 | 11 | 7 | 14 | 0.6 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O | 7582510 | ||
| CHEMBL1160359 | 470 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 615 | 11 | 7 | 14 | 0.6 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O | 7858849 | ||
| 1776 | 775 | 34 | None | -2 | 4 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 11502873 | ||
| 5006 | 775 | 34 | None | -2 | 4 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 11502873 | ||
| 9854012 | 775 | 34 | None | -2 | 4 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 11502873 | ||
| CHEMBL334966 | 775 | 34 | None | -2 | 4 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 11502873 | ||
| DB06441 | 775 | 34 | None | -2 | 4 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 11502873 | ||
| 121990 | 75 | 12 | None | -2 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 11502873 | ||
| 1710 | 75 | 12 | None | -2 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 11502873 | ||
| 1763 | 75 | 12 | None | -2 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 11502873 | ||
| CHEMBL435402 | 75 | 12 | None | -2 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 11502873 | ||
| 1755 | 286 | 16 | None | 32 | 6 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 11502873 | ||
| 5310996 | 286 | 16 | None | 32 | 6 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 11502873 | ||
| CHEMBL335206 | 286 | 16 | None | 32 | 6 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 11502873 | ||
| 1776 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12213051 | ||
| 5006 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12213051 | ||
| 9854012 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12213051 | ||
| CHEMBL334966 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12213051 | ||
| DB06441 | 775 | 34 | None | -2 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 12213051 | ||
| 10405534 | 3217 | 0 | None | - | 1 | Human | 5.2 | pIC50 | None | 5.2 | Functional | Guide to Pharmacology | 349 | 5 | 2 | 4 | 2.9 | OC(=O)/C=C\1/CN(CCC1S)C(c1ccccc1F)C(=O)C1CC1 | 16268477 | ||
| 1771 | 3217 | 0 | None | - | 1 | Human | 5.2 | pIC50 | None | 5.2 | Functional | Guide to Pharmacology | 349 | 5 | 2 | 4 | 2.9 | OC(=O)/C=C\1/CN(CCC1S)C(c1ccccc1F)C(=O)C1CC1 | 16268477 | ||
| CHEMBL3526431 | 3217 | 0 | None | - | 1 | Human | 5.2 | pIC50 | None | 5.2 | Functional | Guide to Pharmacology | 349 | 5 | 2 | 4 | 2.9 | OC(=O)/C=C\1/CN(CCC1S)C(c1ccccc1F)C(=O)C1CC1 | 16268477 | ||
| 1769 | 2012 | 0 | None | - | 1 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 633 | 10 | 4 | 12 | 2.6 | O=C(c1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@@H](O2)Cc1ccccc1)COP(=O)(OP(=O)(O)O)O | 18232657 | ||
| 91827342 | 2012 | 0 | None | - | 1 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 633 | 10 | 4 | 12 | 2.6 | O=C(c1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@@H](O2)Cc1ccccc1)COP(=O)(OP(=O)(O)O)O | 18232657 | ||
| 16681707 | 748 | 4 | None | - | 1 | Human | 7.0 | pIC50 | None | 7 | Functional | Guide to Pharmacology | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 18539312 | ||
| 1767 | 748 | 4 | None | - | 1 | Human | 7.0 | pIC50 | None | 7 | Functional | Guide to Pharmacology | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 18539312 | ||
| CHEMBL2172275 | 748 | 4 | None | - | 1 | Human | 7.0 | pIC50 | None | 7 | Functional | Guide to Pharmacology | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 18539312 | ||
| 11273179 | 3249 | 4 | None | - | 1 | Human | 8.0 | pIC50 | None | 8.0 | Functional | Guide to Pharmacology | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 18232657 | ||
| 1770 | 3249 | 4 | None | - | 1 | Human | 8.0 | pIC50 | None | 8.0 | Functional | Guide to Pharmacology | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 18232657 | ||
| CHEMBL1162175 | 3249 | 4 | None | - | 1 | Human | 8.0 | pIC50 | None | 8.0 | Functional | Guide to Pharmacology | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 18232657 | ||
| DB05553 | 3249 | 4 | None | - | 1 | Human | 8.0 | pIC50 | None | 8.0 | Functional | Guide to Pharmacology | 532 | 8 | 4 | 10 | 1.8 | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O | 18232657 | ||
| 1765 | 3757 | 94 | None | 2 | 3 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 25186974 | ||
| 4184 | 3757 | 94 | None | 2 | 3 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 25186974 | ||
| 9871419 | 3757 | 94 | None | 2 | 3 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 25186974 | ||
| CHEMBL398435 | 3757 | 94 | None | 2 | 3 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 25186974 | ||
| DB08816 | 3757 | 94 | None | 2 | 3 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 25186974 | ||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 1776 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 5006 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 9854012 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL334966 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2016.04.030 | ||
| DB06441 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 1776 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2022.128837 | ||
| 5006 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2022.128837 | ||
| 9854012 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL334966 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2022.128837 | ||
| DB06441 | 775 | 34 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2022.128837 | ||
| 10557443 | 10129 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 783 | 13 | 7 | 14 | 3.1 | O=P(O)(OC[C@H]1O[C@@H](n2cnc3c(NCC(F)(F)F)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL1160364 | 10129 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 783 | 13 | 7 | 14 | 3.1 | O=P(O)(OC[C@H]1O[C@@H](n2cnc3c(NCC(F)(F)F)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 66575818 | 113570 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 458 | 8 | 2 | 6 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326907 | 113570 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 458 | 8 | 2 | 6 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 44554515 | 111439 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288123 | 111439 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| 49764561 | 189543 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 601 | 12 | 2 | 9 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)sc2N2CC[C@H](OC)C2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5173489 | 189543 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 601 | 12 | 2 | 9 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)sc2N2CC[C@H](OC)C2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 49764180 | 189943 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 524 | 9 | 3 | 7 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2csc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5179719 | 189943 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 524 | 9 | 3 | 7 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2csc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 46931928 | 190241 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 600 | 10 | 3 | 7 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](Cc2ccc(P(=O)(O)O)cc2)NC(=O)c2csc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5184268 | 190241 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 600 | 10 | 3 | 7 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](Cc2ccc(P(=O)(O)O)cc2)NC(=O)c2csc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 49763085 | 190839 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 622 | 10 | 3 | 9 | 1.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2nc(-c3ccccc3)sc2N2CCN(C)CC2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5192953 | 190839 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 622 | 10 | 3 | 9 | 1.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2nc(-c3ccccc3)sc2N2CCN(C)CC2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 49764183 | 190995 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 572 | 8 | 3 | 7 | 2.3 | CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccc(P(=O)(O)O)cc2)NC(=O)c2csc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5195237 | 190995 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 572 | 8 | 3 | 7 | 2.3 | CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccc(P(=O)(O)O)cc2)NC(=O)c2csc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 49763087 | 191517 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2nc(-c3ccccc3)sc2N(C)CCCC)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5203416 | 191517 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2nc(-c3ccccc3)sc2N(C)CCCC)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 15983053 | 91658 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 7 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419485 | 91658 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 7 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 66854978 | 190688 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 784 | 14 | 3 | 11 | 1.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCNS(=O)(=O)C(F)(F)F)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5190693 | 190688 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 784 | 14 | 3 | 11 | 1.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCNS(=O)(=O)C(F)(F)F)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 87180479 | 191762 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 719 | 16 | 3 | 10 | 1.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NCC(F)F)n(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5207212 | 191762 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 719 | 16 | 3 | 10 | 1.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NCC(F)F)n(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2022.128837 | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2022.128837 | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2022.128837 | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2022.128837 | ||
| 118711090 | 113352 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 608 | 10 | 1 | 7 | 6.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325652 | 113352 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 608 | 10 | 1 | 7 | 6.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 67460312 | 113122 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 554 | 9 | 2 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322621 | 113122 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 554 | 9 | 2 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 118711072 | 113334 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 528 | 11 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN(C)C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325634 | 113334 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 528 | 11 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN(C)C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711074 | 113336 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 11 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325636 | 113336 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 568 | 11 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711077 | 113339 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325639 | 113339 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711079 | 113341 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325641 | 113341 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711087 | 113349 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(NC)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325649 | 113349 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(NC)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711091 | 113353 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 552 | 8 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCNC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325653 | 113353 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 552 | 8 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCNC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576450 | 113396 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 526 | 8 | 2 | 7 | 4.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCNCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325781 | 113396 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 526 | 8 | 2 | 7 | 4.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCNCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 54581027 | 62523 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 487 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784235 | 62523 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 487 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 54580044 | 62526 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NC3CCCCO3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784241 | 62526 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NC3CCCCO3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 68600063 | 126141 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 645 | 11 | 2 | 8 | 3.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCCC3c3ccccc3)c3ccccc3n2)CC1 | nan | ||
| CHEMBL3652613 | 126141 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 645 | 11 | 2 | 8 | 3.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCCC3c3ccccc3)c3ccccc3n2)CC1 | nan | ||
| 118711172 | 113394 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 554 | 8 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC(C)NC(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325779 | 113394 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 554 | 8 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC(C)NC(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 127039360 | 136617 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1048 | 20 | 10 | 26 | 3.1 | CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 127040666 | 136617 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1048 | 20 | 10 | 26 | 3.1 | CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3745863 | 136617 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1048 | 20 | 10 | 26 | 3.1 | CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747870 | 136617 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1048 | 20 | 10 | 26 | 3.1 | CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 25165435 | 111448 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 484 | 9 | 1 | 8 | 2.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1OC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288132 | 111448 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 484 | 9 | 1 | 8 | 2.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1OC | 10.1016/j.bmcl.2014.04.001 | ||
| 44608149 | 111445 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288129 | 111445 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 118711093 | 113355 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 552 | 8 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CNCC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325655 | 113355 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 552 | 8 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CNCC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1021/jm400820m | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1021/jm400820m | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1021/jm400820m | ||
| 24968874 | 91667 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 506 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419495 | 91667 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 506 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1021/jm400820m | ||
| 118711190 | 113418 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 590 | 10 | 2 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325802 | 113418 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 590 | 10 | 2 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711191 | 113419 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 631 | 10 | 1 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(=O)N(C)C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325803 | 113419 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 631 | 10 | 1 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(=O)N(C)C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576530 | 113420 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 641 | 10 | 1 | 9 | 5.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5cc(C)on5)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325804 | 113420 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 641 | 10 | 1 | 9 | 5.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5cc(C)on5)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 67460624 | 113134 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 551 | 9 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccsc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322632 | 113134 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 551 | 9 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccsc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 71607689 | 103735 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 480 | 7 | 3 | 9 | 3.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](F)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098247 | 103735 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 480 | 7 | 3 | 9 | 3.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](F)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 15983055 | 91656 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 510 | 7 | 1 | 8 | 2.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419483 | 91656 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 510 | 7 | 1 | 8 | 2.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)nc1C | 10.1021/jm400820m | ||
| 24751997 | 62499 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 438 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784212 | 62499 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 438 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL54256 | 193279 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 664 | 7 | 2 | 14 | 1.5 | CS(=O)(=O)c1ccc2c(c1)SC1=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)=C(O)N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 118711084 | 113346 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 9 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325646 | 113346 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 9 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711086 | 113348 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325648 | 113348 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711088 | 113350 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325650 | 113350 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711176 | 113399 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 608 | 9 | 1 | 7 | 5.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(F)(F)F)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325784 | 113399 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 608 | 9 | 1 | 7 | 5.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(F)(F)F)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711181 | 113406 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Br)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325791 | 113406 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Br)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 11684524 | 90877 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402252 | 90877 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 11561528 | 90892 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 452 | 5 | 1 | 7 | 2.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402267 | 90892 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 452 | 5 | 1 | 7 | 2.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24752129 | 62481 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784194 | 62481 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24751577 | 62514 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784226 | 62514 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 145968628 | 164578 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 515 | 9 | 3 | 8 | 0.2 | CCOC(=O)N1CCN(C(=O)[C@H](CC(=O)NCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227647 | 164578 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 515 | 9 | 3 | 8 | 0.2 | CCOC(=O)N1CCN(C(=O)[C@H](CC(=O)NCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 145971167 | 164600 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)[C@@H](C)C1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227969 | 164600 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)[C@@H](C)C1 | 10.1016/j.bmcl.2018.03.090 | ||
| 145967502 | 164637 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 430 | 6 | 2 | 7 | 0.6 | CCOC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4228684 | 164637 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 430 | 6 | 2 | 7 | 0.6 | CCOC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 44610519 | 111442 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 504 | 8 | 1 | 7 | 3.4 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288126 | 111442 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 504 | 8 | 1 | 7 | 3.4 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 68556579 | 111444 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 482 | 8 | 1 | 7 | 3.4 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288128 | 111444 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 482 | 8 | 1 | 7 | 3.4 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 118711089 | 113351 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325651 | 113351 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 127038951 | 136626 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1026 | 16 | 10 | 26 | 2.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 46240906 | 136626 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1026 | 16 | 10 | 26 | 2.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3746312 | 136626 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1026 | 16 | 10 | 26 | 2.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747879 | 136626 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1026 | 16 | 10 | 26 | 2.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 71607634 | 103728 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 538 | 10 | 5 | 12 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098239 | 103728 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 538 | 10 | 5 | 12 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 118711083 | 113345 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325645 | 113345 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 90644280 | 111447 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 504 | 9 | 1 | 7 | 3.7 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C(F)F | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288131 | 111447 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 504 | 9 | 1 | 7 | 3.7 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C(F)F | 10.1016/j.bmcl.2014.04.001 | ||
| 118711091 | 113353 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 552 | 8 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCNC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325653 | 113353 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 552 | 8 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCNC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711184 | 113410 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Br)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325795 | 113410 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Br)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 68600322 | 126139 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 708 | 11 | 2 | 9 | 2.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O[C@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCCCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652611 | 126139 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 708 | 11 | 2 | 9 | 2.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O[C@H](C)C(=O)N3CCC[C@H]3C(=O)N3CCCCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 15983175 | 91659 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 460 | 7 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419486 | 91659 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 460 | 7 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 118711180 | 113403 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 634 | 10 | 1 | 7 | 6.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5ccc(F)cc5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325788 | 113403 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 634 | 10 | 1 | 7 | 6.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5ccc(F)cc5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576220 | 113421 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325805 | 113421 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 11684912 | 90870 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402245 | 90870 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 11706351 | 90873 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402248 | 90873 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 68911120 | 91662 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 456 | 6 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419489 | 91662 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 456 | 6 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C | 10.1021/jm400820m | ||
| 118711179 | 113402 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 8 | 1 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4CN5C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325787 | 113402 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 8 | 1 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4CN5C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 15983175 | 91659 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 460 | 7 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419486 | 91659 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 460 | 7 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 24751575 | 62498 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 456 | 4 | 1 | 5 | 4.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784211 | 62498 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 456 | 4 | 1 | 5 | 4.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 22185065 | 164526 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 426 | 8 | 1 | 5 | 2.2 | CCCCCC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4226930 | 164526 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 426 | 8 | 1 | 5 | 2.2 | CCCCCC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 71740352 | 90894 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 3.4 | CCOC(=O)c1cnc(N2CCN(C(=S)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402269 | 90894 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 3.4 | CCOC(=O)c1cnc(N2CCN(C(=S)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 118711096 | 113358 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 582 | 11 | 1 | 7 | 5.6 | CCCCN1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(-n4ncc(C(=O)CCC)c4C)cc3)c3cc(C)ccc32)CC1 | 10.1021/jm500588w | ||
| CHEMBL3325658 | 113358 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 582 | 11 | 1 | 7 | 5.6 | CCCCN1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(-n4ncc(C(=O)CCC)c4C)cc3)c3cc(C)ccc32)CC1 | 10.1021/jm500588w | ||
| 67463039 | 113115 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 574 | 11 | 3 | 8 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCc3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322614 | 113115 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 574 | 11 | 3 | 8 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCc3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 118711074 | 113336 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 568 | 11 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325636 | 113336 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 568 | 11 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71607553 | 103729 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 7 | 5 | 11 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn(C3[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098240 | 103729 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 7 | 5 | 11 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn(C3[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 44554515 | 111439 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288123 | 111439 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| 2741913 | 113564 | 5 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 412 | 5 | 2 | 5 | 5.0 | CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326901 | 113564 | 5 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 412 | 5 | 2 | 5 | 5.0 | CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1C | 10.1021/jm500588w | ||
| 67460741 | 113132 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 562 | 9 | 2 | 8 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccc[n+]([O-])c3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322630 | 113132 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 562 | 9 | 2 | 8 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccc[n+]([O-])c3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 16681707 | 748 | 4 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 1767 | 748 | 4 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL2172275 | 748 | 4 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 66575821 | 113443 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2cnc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cn2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325892 | 113443 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2cnc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cn2)c1C | 10.1021/jm500588w | ||
| 24752558 | 90865 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 481 | 6 | 1 | 7 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCCc3cccs3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402156 | 90865 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 481 | 6 | 1 | 7 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCCc3cccs3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 118711969 | 113565 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 10 | 3 | 7 | 4.6 | CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccccc3OCCCC(=O)O)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326902 | 113565 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 10 | 3 | 7 | 4.6 | CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccccc3OCCCC(=O)O)cc2)c1C | 10.1021/jm500588w | ||
| 25175044 | 126131 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 655 | 12 | 2 | 10 | 1.7 | CCOC(=O)[C@@H]1CCCN1C(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc2cc(C)ccc12 | nan | ||
| CHEMBL3652603 | 126131 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 655 | 12 | 2 | 10 | 1.7 | CCOC(=O)[C@@H]1CCCN1C(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc2cc(C)ccc12 | nan | ||
| 24985991 | 191180 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 456 | 7 | 4 | 10 | 2.1 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3CC[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5197988 | 191180 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 456 | 7 | 4 | 10 | 2.1 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3CC[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2021.113924 | ||
| 127041005 | 136622 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1152 | 14 | 10 | 24 | 1.3 | Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(I)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 46240702 | 136622 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1152 | 14 | 10 | 24 | 1.3 | Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(I)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3746901 | 136622 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1152 | 14 | 10 | 24 | 1.3 | Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(I)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747875 | 136622 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1152 | 14 | 10 | 24 | 1.3 | Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(I)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 118711185 | 113411 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Cl)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325796 | 113411 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Cl)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71607634 | 103728 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 538 | 10 | 5 | 12 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098239 | 103728 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 538 | 10 | 5 | 12 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 118711077 | 113339 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325639 | 113339 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 127040347 | 136615 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1020 | 18 | 10 | 26 | 2.3 | CCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 46241743 | 136615 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1020 | 18 | 10 | 26 | 2.3 | CCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747704 | 136615 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1020 | 18 | 10 | 26 | 2.3 | CCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747869 | 136615 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1020 | 18 | 10 | 26 | 2.3 | CCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 11504760 | 90860 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 534 | 7 | 1 | 8 | 3.9 | CC(C)CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402151 | 90860 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 534 | 7 | 1 | 8 | 3.9 | CC(C)CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 11712235 | 90890 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 457 | 5 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402265 | 90890 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 457 | 5 | 1 | 8 | 1.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 44610468 | 111443 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 500 | 9 | 1 | 8 | 3.5 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288127 | 111443 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 500 | 9 | 1 | 8 | 3.5 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| 118711090 | 113352 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 608 | 10 | 1 | 7 | 6.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325652 | 113352 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 608 | 10 | 1 | 7 | 6.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711092 | 113354 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCN(C)C5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325654 | 113354 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCN(C)C5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 46241019 | 136611 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 928 | 16 | 10 | 27 | -1.0 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3745979 | 136611 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 928 | 16 | 10 | 27 | -1.0 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747865 | 136611 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 928 | 16 | 10 | 27 | -1.0 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 24751999 | 62488 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1784201 | 62488 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24751999 | 62488 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784201 | 62488 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24751995 | 62489 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 5 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784202 | 62489 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 5 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 145968144 | 164546 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227196 | 164546 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711187 | 113413 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 544 | 8 | 1 | 7 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325798 | 113413 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 544 | 8 | 1 | 7 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 12000767 | 113108 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 576 | 11 | 3 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NS(=O)(=O)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322597 | 113108 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 576 | 11 | 3 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NS(=O)(=O)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 118711193 | 113423 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 6 | 1 | 7 | 4.0 | CC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325807 | 113423 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 6 | 1 | 7 | 4.0 | CC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71264539 | 103736 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 552 | 11 | 5 | 12 | 1.4 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(O)CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098249 | 103736 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 552 | 11 | 5 | 12 | 1.4 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(O)CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 15983672 | 91663 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 488 | 7 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419491 | 91663 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 488 | 7 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 118711177 | 113400 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 596 | 8 | 2 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@@H](O)CN5C[C@@H]4C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325785 | 113400 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 596 | 8 | 2 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@@H](O)CN5C[C@@H]4C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576296 | 113417 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 604 | 11 | 1 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325801 | 113417 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 604 | 11 | 1 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118710245 | 113152 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 553 | 11 | 2 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322650 | 113152 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 553 | 11 | 2 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 74220534 | 113444 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn([C@H]2CC[C@H](NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325893 | 113444 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn([C@H]2CC[C@H](NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C | 10.1021/jm500588w | ||
| 11532836 | 90897 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402272 | 90897 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3C)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 145987950 | 164659 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 7 | 2 | 7 | 1.1 | CCOC(=O)N1CCN(C(=O)[C@H](CC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4228996 | 164659 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 7 | 2 | 7 | 1.1 | CCOC(=O)N1CCN(C(=O)[C@H](CC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711071 | 113333 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 11 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCNC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325633 | 113333 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 11 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCNC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711249 | 113449 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 603 | 9 | 2 | 8 | 3.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C(N)=O)c2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325898 | 113449 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 603 | 9 | 2 | 8 | 3.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C(N)=O)c2)c1C | 10.1021/jm500588w | ||
| 145970219 | 164573 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 480 | 7 | 2 | 7 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227595 | 164573 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 480 | 7 | 2 | 7 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 145969360 | 164643 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 442 | 6 | 1 | 6 | 2.3 | CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cc(OC)c3ccccc3n2)C(C)C)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4228736 | 164643 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 442 | 6 | 1 | 6 | 2.3 | CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cc(OC)c3ccccc3n2)C(C)C)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711064 | 113327 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3c(C)n(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325625 | 113327 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3c(C)n(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71607662 | 103726 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 487 | 10 | 4 | 12 | 1.1 | CCCSc1nc(N[C@@H]2C[C@H]2c2cccnc2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098236 | 103726 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 487 | 10 | 4 | 12 | 1.1 | CCCSc1nc(N[C@@H]2C[C@H]2c2cccnc2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 44762396 | 113563 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 407 | 7 | 1 | 6 | 3.6 | CCOC(=O)c1c(C)nn(-c2ccc(C(=O)NCc3ccccc3OC)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326900 | 113563 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 407 | 7 | 1 | 6 | 3.6 | CCOC(=O)c1c(C)nn(-c2ccc(C(=O)NCc3ccccc3OC)cc2)c1C | 10.1021/jm500588w | ||
| 59534140 | 113144 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 10 | 2 | 9 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322642 | 113144 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 10 | 2 | 9 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 11706351 | 90873 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402248 | 90873 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 71607589 | 103724 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 10 | 4 | 12 | 2.5 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098234 | 103724 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 10 | 4 | 12 | 2.5 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 11993787 | 91666 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 512 | 8 | 1 | 8 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C(C)C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419494 | 91666 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 512 | 8 | 1 | 8 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C(C)C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 24751708 | 62517 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784229 | 62517 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711064 | 113327 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3c(C)n(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325625 | 113327 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3c(C)n(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 67463112 | 113112 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 11 | 3 | 8 | 2.2 | CCCNc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)n1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322611 | 113112 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 11 | 3 | 8 | 2.2 | CCCNc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)n1 | 10.1016/j.bmcl.2014.06.070 | ||
| 71607592 | 103727 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 494 | 7 | 5 | 11 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098238 | 103727 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 494 | 7 | 5 | 11 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 71607664 | 103732 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 496 | 7 | 4 | 10 | 1.9 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098243 | 103732 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 496 | 7 | 4 | 10 | 1.9 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 44762396 | 113563 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 407 | 7 | 1 | 6 | 3.6 | CCOC(=O)c1c(C)nn(-c2ccc(C(=O)NCc3ccccc3OC)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326900 | 113563 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 407 | 7 | 1 | 6 | 3.6 | CCOC(=O)c1c(C)nn(-c2ccc(C(=O)NCc3ccccc3OC)cc2)c1C | 10.1021/jm500588w | ||
| 67460401 | 113116 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 11 | 4 | 9 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322615 | 113116 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 11 | 4 | 9 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 68600802 | 126134 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 680 | 11 | 2 | 9 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N3CCCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652606 | 126134 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 680 | 11 | 2 | 9 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N3CCCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 15983546 | 91673 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 442 | 7 | 1 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419501 | 91673 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 442 | 7 | 1 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| 66575899 | 113442 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)nn2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325891 | 113442 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)nn2)c1C | 10.1021/jm500588w | ||
| 118711970 | 113566 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 478 | 11 | 3 | 6 | 5.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)Nc3cc(C)ccc3OCCCC(=O)O)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326903 | 113566 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 478 | 11 | 3 | 6 | 5.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)Nc3cc(C)ccc3OCCCC(=O)O)cc2)c1C | 10.1021/jm500588w | ||
| 66575899 | 113442 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)nn2)c1C | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL3325891 | 113442 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)nn2)c1C | 10.1016/j.bmcl.2022.128837 | ||
| 44296486 | 188354 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 9 | 2 | 9 | 4.1 | CCOc1ccc2nc(NC(=O)CS(=O)(=O)Nc3nc4ccc(OCC)cc4s3)sc2c1 | 10.1016/s0960-894x(01)00313-4 | ||
| CHEMBL50806 | 188354 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 9 | 2 | 9 | 4.1 | CCOc1ccc2nc(NC(=O)CS(=O)(=O)Nc3nc4ccc(OCC)cc4s3)sc2c1 | 10.1016/s0960-894x(01)00313-4 | ||
| CHEMBL540200 | 193200 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 596 | 9 | 2 | 12 | 3.4 | CCOc1ccc2c(c1)SC1=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc3nc4ccc(OCC)cc4s3)=C(O)N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 11684912 | 90870 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402245 | 90870 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 23642329 | 62491 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784204 | 62491 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711075 | 113337 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 551 | 11 | 2 | 8 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCn4ccnc4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325637 | 113337 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 551 | 11 | 2 | 8 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCn4ccnc4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711098 | 113361 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 580 | 10 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC5CC5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325661 | 113361 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 580 | 10 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC5CC5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711184 | 113410 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Br)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325795 | 113410 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Br)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 24752560 | 62475 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3OC)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784188 | 62475 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3OC)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24751711 | 62493 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 418 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784206 | 62493 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 418 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24751709 | 62516 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3cccc(C)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784228 | 62516 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3cccc(C)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 145967823 | 164405 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)C[C@@H]1C | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4225138 | 164405 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)C[C@@H]1C | 10.1016/j.bmcl.2018.03.090 | ||
| 71607553 | 103729 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 494 | 7 | 5 | 11 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn(C3[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098240 | 103729 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 494 | 7 | 5 | 11 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn(C3[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 67462688 | 113114 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 560 | 10 | 3 | 8 | 3.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322613 | 113114 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 560 | 10 | 3 | 8 | 3.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 12002005 | 113125 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 588 | 10 | 3 | 8 | 2.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(=O)c3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322624 | 113125 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 588 | 10 | 3 | 8 | 2.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(=O)c3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 1776 | 775 | 34 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.ejmech.2015.10.055 | ||
| 5006 | 775 | 34 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.ejmech.2015.10.055 | ||
| 9854012 | 775 | 34 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL334966 | 775 | 34 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.ejmech.2015.10.055 | ||
| DB06441 | 775 | 34 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.ejmech.2015.10.055 | ||
| 11561528 | 90892 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 452 | 5 | 1 | 7 | 2.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402267 | 90892 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 452 | 5 | 1 | 7 | 2.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL300240 | 101347 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 652 | 9 | 2 | 14 | 3.0 | CCOC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc3nc4ccc(C(=O)OCC)cc4s3)=C(O)N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 118711076 | 113338 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 542 | 11 | 2 | 7 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC(C)CN(C)C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325638 | 113338 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 542 | 11 | 2 | 7 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC(C)CN(C)C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66575818 | 113570 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 2 | 6 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326907 | 113570 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 2 | 6 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 69224555 | 91660 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419487 | 91660 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 24751572 | 62226 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 432 | 4 | 1 | 5 | 3.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Br)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782537 | 62226 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 432 | 4 | 1 | 5 | 3.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Br)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24752269 | 62472 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784185 | 62472 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24752559 | 62478 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784191 | 62478 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 10292521 | 164423 | 7 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 369 | 4 | 1 | 4 | 1.9 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4225415 | 164423 | 7 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 369 | 4 | 1 | 4 | 1.9 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 22184925 | 164592 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 460 | 6 | 1 | 5 | 2.5 | CCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)c3cc(OC)c4ccccc4n3)CC2)cc1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227910 | 164592 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 460 | 6 | 1 | 5 | 2.5 | CCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)c3cc(OC)c4ccccc4n3)CC2)cc1 | 10.1016/j.bmcl.2018.03.090 | ||
| 6918456 | 14348 | 107 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL1201772 | 14348 | 107 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 373 | 5 | 0 | 5 | 3.9 | CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2 | 10.1016/j.bmcl.2022.128837 | ||
| 118711973 | 113569 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 472 | 9 | 2 | 6 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326906 | 113569 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 472 | 9 | 2 | 6 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 145970653 | 164541 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 7 | 2 | 7 | 1.1 | CCOC(=O)N1CCN(C(=O)[C@@H](CC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227170 | 164541 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 458 | 7 | 2 | 7 | 1.1 | CCOC(=O)N1CCN(C(=O)[C@@H](CC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 71607633 | 103725 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 507 | 10 | 4 | 13 | 1.5 | CCCSc1nc(N[C@@H]2C[C@H]2c2scnc2C)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098235 | 103725 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 507 | 10 | 4 | 13 | 1.5 | CCCSc1nc(N[C@@H]2C[C@H]2c2scnc2C)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 11569565 | 90889 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402264 | 90889 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 118711174 | 113397 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 572 | 10 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCF)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325782 | 113397 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 572 | 10 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCF)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711175 | 113398 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 10 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(F)F)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325783 | 113398 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 10 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(F)F)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 11503160 | 90882 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 6 | 2 | 8 | 1.3 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402257 | 90882 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 6 | 2 | 8 | 1.3 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 11503687 | 90898 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402273 | 90898 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 68913927 | 90887 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 505 | 6 | 2 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402262 | 90887 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 505 | 6 | 2 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 24750723 | 62484 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784197 | 62484 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24750557 | 62485 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 4.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784198 | 62485 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 4.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 145967657 | 164511 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 504 | 9 | 2 | 8 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@@H](CSCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4226648 | 164511 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 504 | 9 | 2 | 8 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@@H](CSCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 24752128 | 62474 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 489 | 5 | 1 | 6 | 4.6 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784187 | 62474 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 489 | 5 | 1 | 6 | 4.6 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24750719 | 62524 | 2 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccs3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784238 | 62524 | 2 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 394 | 4 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccs3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 145970872 | 164516 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4226722 | 164516 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 15983670 | 91657 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C)c3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419484 | 91657 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C)c3)C2)nc1C | 10.1021/jm400820m | ||
| 118711073 | 113335 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 554 | 11 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325635 | 113335 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 554 | 11 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71607666 | 103734 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 7 | 3 | 9 | 2.8 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C=C[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098246 | 103734 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 7 | 3 | 9 | 2.8 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C=C[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 67459391 | 113117 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 556 | 12 | 4 | 9 | 1.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCC(=O)O)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322616 | 113117 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 556 | 12 | 4 | 9 | 1.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCC(=O)O)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 24786234 | 139217 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 494 | 8 | 4 | 12 | 1.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](c4nnn[nH]4)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL3798413 | 139217 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 494 | 8 | 4 | 12 | 1.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](c4nnn[nH]4)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2016.04.030 | ||
| 1776 | 775 | 34 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmc.2014.12.034 | ||
| 5006 | 775 | 34 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmc.2014.12.034 | ||
| 9854012 | 775 | 34 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmc.2014.12.034 | ||
| CHEMBL334966 | 775 | 34 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmc.2014.12.034 | ||
| DB06441 | 775 | 34 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 775 | 15 | 7 | 15 | 2.9 | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmc.2014.12.034 | ||
| 24786234 | 139217 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 494 | 8 | 4 | 12 | 1.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](c4nnn[nH]4)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL3798413 | 139217 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 494 | 8 | 4 | 12 | 1.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](c4nnn[nH]4)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2016.04.030 | ||
| 1756 | 459 | 8 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 5310954 | 459 | 8 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL336292 | 459 | 8 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 87416471 | 191073 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 720 | 11 | 1 | 11 | 4.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP2(=O)OCc3cccc(C)c3O2)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5196387 | 191073 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 720 | 11 | 1 | 11 | 4.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP2(=O)OCc3cccc(C)c3O2)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 73603967 | 113445 | 5 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 3.5 | CCCC(=O)c1cnn(C2CCN(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325894 | 113445 | 5 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 3.5 | CCCC(=O)c1cnn(C2CCN(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C | 10.1021/jm500588w | ||
| 15982393 | 90891 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 471 | 6 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402266 | 90891 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 471 | 6 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 66576297 | 113360 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 584 | 11 | 1 | 8 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325660 | 113360 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 584 | 11 | 1 | 8 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711190 | 113418 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 590 | 10 | 2 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325802 | 113418 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 590 | 10 | 2 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576530 | 113420 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 641 | 10 | 1 | 9 | 5.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5cc(C)on5)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325804 | 113420 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 641 | 10 | 1 | 9 | 5.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5cc(C)on5)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576220 | 113421 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325805 | 113421 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 11620159 | 91670 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 6 | 1 | 8 | 3.3 | CCOC(=O)c1cnc(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1021/jm400820m | ||
| CHEMBL2419498 | 91670 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 6 | 1 | 8 | 3.3 | CCOC(=O)c1cnc(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1021/jm400820m | ||
| 11697626 | 91672 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 428 | 6 | 1 | 8 | 1.4 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419500 | 91672 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 428 | 6 | 1 | 8 | 1.4 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| 145970444 | 164596 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 488 | 9 | 2 | 8 | 0.7 | CCOC(=O)N1CCN(C(=O)[C@H](COCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227949 | 164596 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 488 | 9 | 2 | 8 | 0.7 | CCOC(=O)N1CCN(C(=O)[C@H](COCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711185 | 113411 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Cl)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325796 | 113411 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Cl)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 90644282 | 111438 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 494 | 8 | 1 | 7 | 3.6 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288122 | 111438 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 494 | 8 | 1 | 7 | 3.6 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 118711972 | 113568 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 486 | 10 | 2 | 6 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326905 | 113568 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 486 | 10 | 2 | 6 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 67462328 | 113120 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 552 | 9 | 2 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322619 | 113120 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 552 | 9 | 2 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 67461716 | 113129 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 541 | 10 | 3 | 8 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(C)(C)CO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322628 | 113129 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 541 | 10 | 3 | 8 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(C)(C)CO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 12001755 | 113143 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 9 | 3 | 9 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322641 | 113143 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 9 | 3 | 9 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 68913927 | 90887 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 505 | 6 | 2 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402262 | 90887 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 505 | 6 | 2 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 127039361 | 136618 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1156 | 20 | 10 | 26 | 4.2 | Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(SCCC(F)(F)F)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 127039919 | 136618 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1156 | 20 | 10 | 26 | 4.2 | Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(SCCC(F)(F)F)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3746192 | 136618 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1156 | 20 | 10 | 26 | 4.2 | Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(SCCC(F)(F)F)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747871 | 136618 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1156 | 20 | 10 | 26 | 4.2 | Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(SCCC(F)(F)F)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 11699088 | 90856 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 506 | 6 | 1 | 8 | 3.2 | CCCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402148 | 90856 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 506 | 6 | 1 | 8 | 3.2 | CCCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24752130 | 62477 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(C)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784190 | 62477 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(C)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 145969883 | 164390 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 457 | 7 | 2 | 7 | 0.5 | CCOC(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4224920 | 164390 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 457 | 7 | 2 | 7 | 0.5 | CCOC(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 54697995 | 193057 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 508 | 4 | 2 | 9 | 2.6 | O=C1/C(=C(\O)CS(=O)(=O)Nc2nc3ccccc3s2)S(=O)(=O)N=C2Sc3ccccc3N12 | 10.1016/s0960-894x(01)00313-4 | ||
| CHEMBL53491 | 193057 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 508 | 4 | 2 | 9 | 2.6 | O=C1/C(=C(\O)CS(=O)(=O)Nc2nc3ccccc3s2)S(=O)(=O)N=C2Sc3ccccc3N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 145986354 | 164684 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 5 | 0 | 6 | 1.6 | CCOC(=O)N1CCN(C(=O)CN(C)C(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4229217 | 164684 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 414 | 5 | 0 | 6 | 1.6 | CCOC(=O)N1CCN(C(=O)CN(C)C(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 12002012 | 113148 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 527 | 11 | 3 | 8 | 1.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322646 | 113148 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 527 | 11 | 3 | 8 | 1.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 67464394 | 113124 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 10 | 3 | 8 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(=O)C3CCCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322623 | 113124 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 10 | 3 | 8 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(=O)C3CCCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 66576377 | 113404 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 556 | 9 | 1 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(OC)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325789 | 113404 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 556 | 9 | 1 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(OC)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71607631 | 103730 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 496 | 7 | 4 | 10 | 1.9 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098241 | 103730 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 496 | 7 | 4 | 10 | 1.9 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 127039316 | 136614 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 992 | 16 | 10 | 26 | 1.5 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 46196450 | 136614 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 992 | 16 | 10 | 26 | 1.5 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747385 | 136614 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 992 | 16 | 10 | 26 | 1.5 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747868 | 136614 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 992 | 16 | 10 | 26 | 1.5 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 69223141 | 91653 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 456 | 8 | 1 | 8 | 1.6 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)CCc3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419480 | 91653 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 456 | 8 | 1 | 8 | 1.6 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)CCc3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| 118711067 | 113331 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 499 | 8 | 1 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325629 | 113331 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 499 | 8 | 1 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 44296002 | 14618 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 638 | 8 | 4 | 8 | 5.1 | CC(C(O)C(O)[C@@H](C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@]12C)C(C)(C)C | 10.1016/s0960-894x(03)00260-9 | ||
| CHEMBL1206713 | 14618 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 638 | 8 | 4 | 8 | 5.1 | CC(C(O)C(O)[C@@H](C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@]12C)C(C)(C)C | 10.1016/s0960-894x(03)00260-9 | ||
| CHEMBL299307 | 14618 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 638 | 8 | 4 | 8 | 5.1 | CC(C(O)C(O)[C@@H](C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@]12C)C(C)(C)C | 10.1016/s0960-894x(03)00260-9 | ||
| 168274164 | 189815 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 624 | 8 | 4 | 8 | 4.7 | C[C@H]([C@@H](O)[C@H](O)[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5177774 | 189815 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 624 | 8 | 4 | 8 | 4.7 | C[C@H]([C@@H](O)[C@H](O)[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL301991 | 101586 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 536 | 5 | 2 | 10 | 3.3 | Cc1ccc2c(c1)SC1=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc3nc4ccc(C)cc4s3)=C(O)N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 145969318 | 164584 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 472 | 8 | 2 | 7 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@@H](CCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227756 | 164584 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 472 | 8 | 2 | 7 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@@H](CCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 67463698 | 113138 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 582 | 10 | 4 | 9 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N[C@H]3CC[C@H](O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322636 | 113138 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 582 | 10 | 4 | 9 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N[C@H]3CC[C@H](O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 44554515 | 111439 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288123 | 111439 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| 118710244 | 113151 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 10 | 3 | 8 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3CO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322649 | 113151 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 10 | 3 | 8 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3CO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 11570029 | 90875 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 529 | 5 | 1 | 8 | 2.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402250 | 90875 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 529 | 5 | 1 | 8 | 2.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 73294137 | 91661 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 472 | 8 | 2 | 9 | 1.0 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(CO)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419488 | 91661 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 472 | 8 | 2 | 9 | 1.0 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(CO)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 118711183 | 113409 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 551 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C#N)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325794 | 113409 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 551 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C#N)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 24751438 | 62473 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784186 | 62473 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24751300 | 62483 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 483 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784196 | 62483 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 483 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 11451 | 3162 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 5 | 3 | 7 | 5.8 | Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)Sc1ccc(c(c1)C)C | 10.1021/acs.jmedchem.7b00030 | ||
| 132574707 | 3162 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 5 | 3 | 7 | 5.8 | Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)Sc1ccc(c(c1)C)C | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL4116316 | 3162 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 5 | 3 | 7 | 5.8 | Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)Sc1ccc(c(c1)C)C | 10.1021/acs.jmedchem.7b00030 | ||
| 118711972 | 113568 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 10 | 2 | 6 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326905 | 113568 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 10 | 2 | 6 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 68911027 | 90854 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 483 | 5 | 1 | 8 | 1.9 | CCOC(=O)c1cc(C#N)c(N2CC3CN(C(=O)NS(=O)(=O)c4ccccc4)CC3C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402146 | 90854 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 483 | 5 | 1 | 8 | 1.9 | CCOC(=O)c1cc(C#N)c(N2CC3CN(C(=O)NS(=O)(=O)c4ccccc4)CC3C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 24751850 | 62492 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784205 | 62492 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 15983546 | 91673 | 2 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 442 | 7 | 1 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419501 | 91673 | 2 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 442 | 7 | 1 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1021/jm400820m | ||
| 127040000 | 136612 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 960 | 16 | 10 | 27 | 0.9 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)OP(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 46241331 | 136612 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 960 | 16 | 10 | 27 | 0.9 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)OP(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3746558 | 136612 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 960 | 16 | 10 | 27 | 0.9 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)OP(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747866 | 136612 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 960 | 16 | 10 | 27 | 0.9 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)OP(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 73345971 | 90868 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 3.4 | C=C(NC(=O)N1CCN(c2ncc(C(=O)OCC)cc2Cl)CC1)c1ccccc1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402243 | 90868 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 3.4 | C=C(NC(=O)N1CCN(c2ncc(C(=O)OCC)cc2Cl)CC1)c1ccccc1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24751017 | 90896 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 2.7 | CCOC(=O)c1cnc(N2CCN(C(=S)NC(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402271 | 90896 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 2.7 | CCOC(=O)c1cnc(N2CCN(C(=S)NC(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24751581 | 62189 | 2 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 5 | 1 | 5 | 2.9 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782078 | 62189 | 2 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 5 | 1 | 5 | 2.9 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 54580185 | 62230 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.7 | CC(C)OC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782542 | 62230 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.7 | CC(C)OC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 60606 | 61231 | 68 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL1771 | 61231 | 68 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | 10.1016/j.bmcl.2022.128837 | ||
| 137630000 | 160483 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 5 | 3 | 7 | 5.8 | Cc1ccc(Sc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c(C)c1 | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL4087247 | 160483 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 5 | 3 | 7 | 5.8 | Cc1ccc(Sc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c(C)c1 | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL4116405 | 160483 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 5 | 3 | 7 | 5.8 | Cc1ccc(Sc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c(C)c1 | 10.1021/acs.jmedchem.7b00030 | ||
| 67460268 | 113145 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 10 | 3 | 9 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N[C@@H]3CCOC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322643 | 113145 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 10 | 3 | 9 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N[C@@H]3CCOC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 11627571 | 90859 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 5 | 1 | 8 | 3.2 | CC(C)OC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402150 | 90859 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 5 | 1 | 8 | 3.2 | CC(C)OC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 145970953 | 164625 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 7 | 0.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4228415 | 164625 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 471 | 8 | 2 | 7 | 0.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711972 | 113568 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 486 | 10 | 2 | 6 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326905 | 113568 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 486 | 10 | 2 | 6 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 67461519 | 113119 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 597 | 12 | 3 | 10 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322618 | 113119 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 597 | 12 | 3 | 10 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCN3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 68911155 | 90885 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 6 | 2 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402260 | 90885 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 6 | 2 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 66576450 | 113396 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 8 | 2 | 7 | 4.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCNCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325781 | 113396 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 8 | 2 | 7 | 4.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCNCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 11526078 | 90876 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402251 | 90876 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 145987961 | 164688 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 471 | 9 | 2 | 7 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCCCN)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4229257 | 164688 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 471 | 9 | 2 | 7 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCCCN)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711249 | 113449 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 603 | 9 | 2 | 8 | 3.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C(N)=O)c2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325898 | 113449 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 603 | 9 | 2 | 8 | 3.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C(N)=O)c2)c1C | 10.1021/jm500588w | ||
| 12000848 | 113109 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 624 | 11 | 3 | 9 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322598 | 113109 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 624 | 11 | 3 | 9 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 68911155 | 90885 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 6 | 2 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402260 | 90885 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 6 | 2 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 66576298 | 113321 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 560 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325452 | 113321 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 560 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711102 | 113366 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)C(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325666 | 113366 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)C(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 67459575 | 113123 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 549 | 9 | 2 | 9 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-n3cc(C)cn3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322622 | 113123 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 549 | 9 | 2 | 9 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-n3cc(C)cn3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 145971125 | 164525 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 486 | 9 | 2 | 7 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4226913 | 164525 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 486 | 9 | 2 | 7 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711187 | 113413 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 544 | 8 | 1 | 7 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325798 | 113413 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 544 | 8 | 1 | 7 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 24968874 | 91667 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 506 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419495 | 91667 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 506 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C | 10.1021/jm400820m | ||
| 54580993 | 62470 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 489 | 5 | 1 | 6 | 4.6 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784178 | 62470 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 489 | 5 | 1 | 6 | 4.6 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 54580995 | 62487 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784200 | 62487 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 54583975 | 62515 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784227 | 62515 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.1 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711065 | 113328 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)c(C)c34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325626 | 113328 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)c(C)c34)cc2)c1C | 10.1021/jm500588w | ||
| 66575821 | 113443 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2cnc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cn2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325892 | 113443 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2cnc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cn2)c1C | 10.1021/jm500588w | ||
| 67464143 | 113118 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 12 | 3 | 9 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCN(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322617 | 113118 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 12 | 3 | 9 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCN(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 67461890 | 113137 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 12 | 4 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCCO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322635 | 113137 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 12 | 4 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCCO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 68598655 | 126137 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 736 | 14 | 2 | 10 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OCC(C)C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652609 | 126137 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 736 | 14 | 2 | 10 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OCC(C)C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 118711173 | 113395 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 568 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC(C)N(C)C(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325780 | 113395 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 568 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC(C)N(C)C(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71607589 | 103724 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 10 | 4 | 12 | 2.5 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098234 | 103724 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 10 | 4 | 12 | 2.5 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 15983053 | 91658 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419485 | 91658 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 476 | 7 | 1 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 68556549 | 111437 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 482 | 8 | 1 | 7 | 3.7 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C(C)c3ccccc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288121 | 111437 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 482 | 8 | 1 | 7 | 3.7 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C(C)c3ccccc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 118711098 | 113361 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 580 | 10 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC5CC5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325661 | 113361 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 580 | 10 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC5CC5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 16681707 | 748 | 4 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 1767 | 748 | 4 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL2172275 | 748 | 4 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 10.1016/j.bmcl.2016.04.030 | ||
| 71607631 | 103730 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 496 | 7 | 4 | 10 | 1.9 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098241 | 103730 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 496 | 7 | 4 | 10 | 1.9 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 15983672 | 91663 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 488 | 7 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419491 | 91663 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 488 | 7 | 1 | 8 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 69224054 | 91665 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 484 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419493 | 91665 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 484 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 68913220 | 90853 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 509 | 5 | 1 | 9 | 2.5 | CCOC(=O)c1cc(C#N)c(N2C[C@@H]3C[C@H]2CN3C(=O)NS(=O)(=O)c2ccc(Cl)s2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402145 | 90853 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 509 | 5 | 1 | 9 | 2.5 | CCOC(=O)c1cc(C#N)c(N2C[C@@H]3C[C@H]2CN3C(=O)NS(=O)(=O)c2ccc(Cl)s2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 118710243 | 113147 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 609 | 11 | 2 | 9 | 2.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCCC3CN(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322645 | 113147 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 609 | 11 | 2 | 9 | 2.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCCC3CN(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 137630586 | 160540 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 530 | 5 | 3 | 7 | 5.8 | Cc1ccc(C)c(Sc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c1 | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL4081274 | 160540 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 530 | 5 | 3 | 7 | 5.8 | Cc1ccc(C)c(Sc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c1 | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL4116838 | 160540 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 530 | 5 | 3 | 7 | 5.8 | Cc1ccc(C)c(Sc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c1 | 10.1021/acs.jmedchem.7b00030 | ||
| 25022583 | 126144 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 676 | 10 | 2 | 8 | 2.5 | Cc1ccc2c(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)cc(C(=O)NCC(=O)N3CCN(C(=O)OCCC(F)(F)F)CC3)nc2c1 | nan | ||
| CHEMBL3652616 | 126144 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 676 | 10 | 2 | 8 | 2.5 | Cc1ccc2c(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)cc(C(=O)NCC(=O)N3CCN(C(=O)OCCC(F)(F)F)CC3)nc2c1 | nan | ||
| 25022583 | 126144 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 676 | 10 | 2 | 8 | 2.5 | Cc1ccc2c(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)cc(C(=O)NCC(=O)N3CCN(C(=O)OCCC(F)(F)F)CC3)nc2c1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL3652616 | 126144 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 676 | 10 | 2 | 8 | 2.5 | Cc1ccc2c(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)cc(C(=O)NCC(=O)N3CCN(C(=O)OCCC(F)(F)F)CC3)nc2c1 | 10.1016/j.ejmech.2021.113924 | ||
| 59534139 | 113154 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 596 | 12 | 2 | 9 | 2.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322652 | 113154 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 596 | 12 | 2 | 9 | 2.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 44464779 | 113155 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 13 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322653 | 113155 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 13 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 42629406 | 190576 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 617 | 10 | 3 | 9 | 1.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5188874 | 190576 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 617 | 10 | 3 | 9 | 1.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 69224988 | 91664 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 8 | 1 | 9 | 2.3 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(OC)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419492 | 91664 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 8 | 1 | 9 | 2.3 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(OC)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 25110832 | 189370 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 511 | 6 | 2 | 4 | 4.6 | Cc1[nH]c(-c2ccccc2)c(/C=C/C(=O)O)c1C(=O)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5170672 | 189370 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 511 | 6 | 2 | 4 | 4.6 | Cc1[nH]c(-c2ccccc2)c(/C=C/C(=O)O)c1C(=O)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 66576297 | 113360 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 584 | 11 | 1 | 8 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325660 | 113360 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 584 | 11 | 1 | 8 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576451 | 113405 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 578 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(F)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325790 | 113405 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 578 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(F)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711191 | 113419 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 631 | 10 | 1 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(=O)N(C)C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325803 | 113419 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 631 | 10 | 1 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(=O)N(C)C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576220 | 113421 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325805 | 113421 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576448 | 120062 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325630 | 120062 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3545653 | 120062 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576296 | 113417 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 604 | 11 | 1 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325801 | 113417 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 604 | 11 | 1 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711190 | 113418 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 590 | 10 | 2 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325802 | 113418 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 590 | 10 | 2 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576530 | 113420 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 641 | 10 | 1 | 9 | 5.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5cc(C)on5)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325804 | 113420 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 641 | 10 | 1 | 9 | 5.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5cc(C)on5)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576220 | 113421 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325805 | 113421 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 11503687 | 90898 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402273 | 90898 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 5 | 1 | 7 | 2.4 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 118711974 | 113571 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 472 | 8 | 1 | 6 | 4.8 | CCCC(=O)c1cnn(-c2ccc(N(C)C(=O)c3cn(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326908 | 113571 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 472 | 8 | 1 | 6 | 4.8 | CCCC(=O)c1cnn(-c2ccc(N(C)C(=O)c3cn(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 68911088 | 90850 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 623 | 8 | 2 | 10 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C(CCC(=O)O)C2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402142 | 90850 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 623 | 8 | 2 | 10 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C(CCC(=O)O)C2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 11677907 | 90852 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2C)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402144 | 90852 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2C)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 118711067 | 113331 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 1 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325629 | 113331 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 1 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576375 | 120063 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325631 | 120063 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3545654 | 120063 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 12001296 | 113133 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 575 | 10 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccc(OC)cc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322631 | 113133 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 575 | 10 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccc(OC)cc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 46241233 | 136613 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 960 | 16 | 10 | 26 | -0.3 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3746620 | 136613 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 960 | 16 | 10 | 26 | -0.3 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747867 | 136613 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 960 | 16 | 10 | 26 | -0.3 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 2746550 | 62480 | 5 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784193 | 62480 | 5 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 127040676 | 136619 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1104 | 24 | 10 | 26 | 4.7 | CCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCCCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 46240598 | 136619 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1104 | 24 | 10 | 26 | 4.7 | CCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCCCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3746188 | 136619 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1104 | 24 | 10 | 26 | 4.7 | CCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCCCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747872 | 136619 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1104 | 24 | 10 | 26 | 4.7 | CCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCCCCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.ejmech.2015.10.055 | ||
| 24751297 | 62486 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCCc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784199 | 62486 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCCc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 22916 | 14556 | 22 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 394 | 3 | 3 | 6 | 3.0 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL1206272 | 14556 | 22 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 394 | 3 | 3 | 6 | 3.0 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL256057 | 14556 | 22 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 394 | 3 | 3 | 6 | 3.0 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/acs.jmedchem.7b00030 | ||
| 71607687 | 103738 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 542 | 10 | 3 | 10 | 3.3 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(F)F)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098251 | 103738 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 542 | 10 | 3 | 10 | 3.3 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(F)F)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 15983670 | 91657 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C)c3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419484 | 91657 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3cccc(C)c3)C2)nc1C | 10.1021/jm400820m | ||
| 11547134 | 191929 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 461 | 4 | 1 | 7 | 2.9 | Cc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)c(Cl)c2)o1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5209548 | 191929 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 461 | 4 | 1 | 7 | 2.9 | Cc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)c(Cl)c2)o1 | 10.1016/j.ejmech.2021.113924 | ||
| 2746549 | 62223 | 13 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782534 | 62223 | 13 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24752420 | 62509 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784221 | 62509 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmc.2017.07.045 | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmc.2017.07.045 | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmc.2017.07.045 | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmc.2017.07.045 | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmc.2017.07.045 | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1021/jm400820m | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1021/jm400820m | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1021/jm400820m | ||
| 24751579 | 62490 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 418 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3OC)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784203 | 62490 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 418 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3OC)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 15982393 | 90891 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 471 | 6 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402266 | 90891 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 471 | 6 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 118711094 | 113356 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CN(C)CC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325656 | 113356 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CN(C)CC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71607689 | 103735 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 480 | 7 | 3 | 9 | 3.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](F)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098247 | 103735 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 480 | 7 | 3 | 9 | 3.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](F)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 2746549 | 62223 | 13 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1782534 | 62223 | 13 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 24752131 | 62512 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 475 | 5 | 1 | 6 | 3.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784224 | 62512 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 475 | 5 | 1 | 6 | 3.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 118711247 | 113446 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 561 | 8 | 0 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(OC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325895 | 113446 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 561 | 8 | 0 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(OC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711192 | 113422 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 546 | 7 | 1 | 7 | 4.4 | CCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325806 | 113422 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 546 | 7 | 1 | 7 | 4.4 | CCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711182 | 113408 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325793 | 113408 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 168293684 | 191594 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 8 | 2 | 6 | 2.7 | CCOC(=O)N1CCN(C(=O)[C@@H](CCC(=O)O)NC(=O)c2cc(Cl)cc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5204363 | 191594 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 8 | 2 | 6 | 2.7 | CCOC(=O)N1CCN(C(=O)[C@@H](CCC(=O)O)NC(=O)c2cc(Cl)cc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 127040999 | 136621 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1056 | 14 | 10 | 24 | 1.6 | Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Br)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 46240799 | 136621 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1056 | 14 | 10 | 24 | 1.6 | Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Br)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3746598 | 136621 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1056 | 14 | 10 | 24 | 1.6 | Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Br)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747874 | 136621 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1056 | 14 | 10 | 24 | 1.6 | Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Br)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 12001662 | 113150 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 527 | 9 | 3 | 8 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(C)(C)O)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322648 | 113150 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 527 | 9 | 3 | 8 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(C)(C)O)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 71607632 | 103731 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 540 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098242 | 103731 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 540 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 118711066 | 113330 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 472 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)OC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325628 | 113330 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 472 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)OC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 54732977 | 101307 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 576 | 4 | 2 | 9 | 4.0 | O=C1/C(=C(\O)CS(=O)(=O)Nc2nc3ccc(Cl)cc3s2)S(=O)(=O)N=C2Sc3cc(Cl)ccc3N12 | 10.1016/s0960-894x(01)00313-4 | ||
| CHEMBL299983 | 101307 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 576 | 4 | 2 | 9 | 4.0 | O=C1/C(=C(\O)CS(=O)(=O)Nc2nc3ccc(Cl)cc3s2)S(=O)(=O)N=C2Sc3cc(Cl)ccc3N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 54732982 | 101416 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 598 | 6 | 2 | 13 | 2.5 | O=C1/C(=C(\O)CS(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)S(=O)(=O)N=C2Sc3cc([N+](=O)[O-])ccc3N12 | 10.1016/s0960-894x(01)00313-4 | ||
| CHEMBL300750 | 101416 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 598 | 6 | 2 | 13 | 2.5 | O=C1/C(=C(\O)CS(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)S(=O)(=O)N=C2Sc3cc([N+](=O)[O-])ccc3N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 137630492 | 160530 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 517 | 6 | 3 | 8 | 4.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(SCc3cccnc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL4090874 | 160530 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 517 | 6 | 3 | 8 | 4.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(SCc3cccnc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL4116755 | 160530 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 517 | 6 | 3 | 8 | 4.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(SCc3cccnc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/acs.jmedchem.7b00030 | ||
| 67460935 | 113128 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 8 | 2 | 7 | 2.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(C)(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322627 | 113128 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 8 | 2 | 7 | 2.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(C)(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 11691323 | 90879 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 2.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402254 | 90879 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 2.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 118711186 | 113412 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Cl)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325797 | 113412 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Cl)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 54732979 | 187822 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 544 | 4 | 2 | 9 | 2.9 | O=C1/C(=C(\O)CS(=O)(=O)Nc2nc3ccc(F)cc3s2)S(=O)(=O)N=C2Sc3cc(F)ccc3N12 | 10.1016/s0960-894x(01)00313-4 | ||
| CHEMBL50192 | 187822 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 544 | 4 | 2 | 9 | 2.9 | O=C1/C(=C(\O)CS(=O)(=O)Nc2nc3ccc(F)cc3s2)S(=O)(=O)N=C2Sc3cc(F)ccc3N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 66919972 | 189489 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 643 | 13 | 3 | 11 | 1.3 | CCOC(=O)N1CCN(C(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)c2cc(OC3(C(=O)OCC)CCC3)n(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5172707 | 189489 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 643 | 13 | 3 | 11 | 1.3 | CCOC(=O)N1CCN(C(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)c2cc(OC3(C(=O)OCC)CCC3)n(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 11519648 | 90869 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 551 | 5 | 1 | 9 | 3.1 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402244 | 90869 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 551 | 5 | 1 | 9 | 3.1 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 24751712 | 62500 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784213 | 62500 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 68916097 | 90862 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 488 | 5 | 1 | 7 | 3.3 | O=C(c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1)C1CC1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402153 | 90862 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 488 | 5 | 1 | 7 | 3.3 | O=C(c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1)C1CC1 | 10.1016/j.ejmech.2013.04.007 | ||
| 68911205 | 91671 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 1 | 9 | 2.9 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419499 | 91671 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 1 | 9 | 2.9 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1021/jm400820m | ||
| 68911205 | 91671 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 1 | 9 | 2.9 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419499 | 91671 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 1 | 9 | 2.9 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1021/jm400820m | ||
| 66576448 | 120062 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325630 | 120062 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3545653 | 120062 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118710245 | 113152 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 553 | 11 | 2 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322650 | 113152 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 553 | 11 | 2 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 68597944 | 126142 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 680 | 13 | 3 | 9 | 2.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652614 | 126142 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 680 | 13 | 3 | 9 | 2.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 68601276 | 126147 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 666 | 12 | 3 | 9 | 1.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652619 | 126147 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 666 | 12 | 3 | 9 | 1.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 44554515 | 111439 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288123 | 111439 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| 44464779 | 113155 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 581 | 13 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322653 | 113155 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 581 | 13 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 11569565 | 90889 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL2402264 | 90889 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL540200 | 193200 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 596 | 9 | 2 | 12 | 3.4 | CCOc1ccc2c(c1)SC1=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc3nc4ccc(OCC)cc4s3)=C(O)N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 74220534 | 113444 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn([C@H]2CC[C@H](NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325893 | 113444 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn([C@H]2CC[C@H](NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C | 10.1021/jm500588w | ||
| 67462098 | 113149 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 567 | 9 | 3 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C3CCC(O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322647 | 113149 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 567 | 9 | 3 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C3CCC(O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 66576298 | 113321 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 560 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325452 | 113321 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 560 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711083 | 113345 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325645 | 113345 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711093 | 113355 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 552 | 8 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CNCC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325655 | 113355 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 552 | 8 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CNCC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711097 | 113359 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 570 | 10 | 2 | 8 | 3.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325659 | 113359 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 570 | 10 | 2 | 8 | 3.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711101 | 113364 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C(C)C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325664 | 113364 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C(C)C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711102 | 113366 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)C(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325666 | 113366 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)C(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711172 | 113394 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 8 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC(C)NC(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325779 | 113394 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 8 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC(C)NC(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711174 | 113397 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 572 | 10 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCF)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325782 | 113397 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 572 | 10 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCF)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711180 | 113403 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 634 | 10 | 1 | 7 | 6.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5ccc(F)cc5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325788 | 113403 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 634 | 10 | 1 | 7 | 6.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5ccc(F)cc5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711181 | 113406 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Br)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325791 | 113406 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Br)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576610 | 113407 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C(F)(F)F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325792 | 113407 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C(F)(F)F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576296 | 113417 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 604 | 11 | 1 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325801 | 113417 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 604 | 11 | 1 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576220 | 113421 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325805 | 113421 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576221 | 113447 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 585 | 8 | 1 | 8 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C#N)c2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325896 | 113447 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 585 | 8 | 1 | 8 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C#N)c2)c1C | 10.1021/jm500588w | ||
| 66575819 | 113329 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325627 | 113329 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576377 | 113404 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 556 | 9 | 1 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(OC)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325789 | 113404 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 556 | 9 | 1 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(OC)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711191 | 113419 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 631 | 10 | 1 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(=O)N(C)C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325803 | 113419 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 631 | 10 | 1 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(=O)N(C)C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711073 | 113335 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 554 | 11 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325635 | 113335 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 554 | 11 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN4CCCC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711973 | 113569 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 472 | 9 | 2 | 6 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326906 | 113569 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 472 | 9 | 2 | 6 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 44554515 | 111439 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288123 | 111439 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| 118711097 | 113359 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 570 | 10 | 2 | 8 | 3.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325659 | 113359 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 570 | 10 | 2 | 8 | 3.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71607665 | 103737 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 11 | 4 | 11 | 2.4 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(F)CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098250 | 103737 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 11 | 4 | 11 | 2.4 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(F)CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 118711066 | 113330 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 472 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)OC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325628 | 113330 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 472 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)OC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 54584163 | 62227 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 4 | 1 | 5 | 2.6 | CCOC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782538 | 62227 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 354 | 4 | 1 | 5 | 2.6 | CCOC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1 | 10.1016/j.bmcl.2011.03.088 | ||
| 1765 | 3757 | 94 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm500588w | ||
| 4184 | 3757 | 94 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm500588w | ||
| 9871419 | 3757 | 94 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm500588w | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm500588w | ||
| DB08816 | 3757 | 94 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm500588w | ||
| 11569565 | 90889 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402264 | 90889 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 5 | 1 | 9 | 2.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 68916097 | 90862 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 488 | 5 | 1 | 7 | 3.3 | O=C(c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1)C1CC1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402153 | 90862 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 488 | 5 | 1 | 7 | 3.3 | O=C(c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1)C1CC1 | 10.1016/j.ejmech.2013.04.007 | ||
| 12001028 | 113030 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 568 | 10 | 2 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CN3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3321766 | 113030 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 568 | 10 | 2 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CN3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 118710246 | 113153 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 553 | 11 | 2 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@@H]3C[C@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322651 | 113153 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 553 | 11 | 2 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@@H]3C[C@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 11663657 | 90871 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402246 | 90871 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 2.7 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 68914580 | 90881 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 6 | 2 | 7 | 1.8 | CCOC(=O)c1cnc(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402256 | 90881 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 6 | 2 | 7 | 1.8 | CCOC(=O)c1cnc(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24750876 | 62510 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 1 | 7 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(OC)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784222 | 62510 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 1 | 7 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(OC)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 145970029 | 164622 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)C[C@H]1C | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4228398 | 164622 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)C[C@H]1C | 10.1016/j.bmcl.2018.03.090 | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 118711099 | 113362 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 9 | 1 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C5CC5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325662 | 113362 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 9 | 1 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C5CC5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 15983301 | 90884 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 457 | 7 | 2 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402259 | 90884 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 457 | 7 | 2 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 68916926 | 139161 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 1 | 9 | 3.1 | CCc1cnc(-c2cc(C#N)c(N3CC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)C3)nc2C)o1 | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL3798029 | 139161 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 1 | 9 | 3.1 | CCc1cnc(-c2cc(C#N)c(N3CC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)C3)nc2C)o1 | 10.1016/j.bmcl.2016.04.030 | ||
| 2741913 | 113564 | 5 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 412 | 5 | 2 | 5 | 5.0 | CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326901 | 113564 | 5 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 412 | 5 | 2 | 5 | 5.0 | CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1C | 10.1021/jm500588w | ||
| 145967859 | 164460 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)[C@H](C)C1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4225935 | 164460 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 5 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)[C@H](C)C1 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711086 | 113348 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325648 | 113348 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 70922234 | 113365 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCNC(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325665 | 113365 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCNC(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118710241 | 113121 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 567 | 9 | 2 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322620 | 113121 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 567 | 9 | 2 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 67459247 | 113142 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 9 | 3 | 9 | 1.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322640 | 113142 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 9 | 3 | 9 | 1.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 66575819 | 113329 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325627 | 113329 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 54579997 | 62519 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 432 | 6 | 1 | 6 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784231 | 62519 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 432 | 6 | 1 | 6 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711078 | 113340 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C4CCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325640 | 113340 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C4CCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711971 | 113567 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 9 | 2 | 6 | 5.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)n3cc(CCCC(=O)O)c4ccc(C)cc43)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326904 | 113567 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 9 | 2 | 6 | 5.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)n3cc(CCCC(=O)O)c4ccc(C)cc43)cc2)c1C | 10.1021/jm500588w | ||
| 53233471 | 62508 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1784220 | 62508 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 53233471 | 62508 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784220 | 62508 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(F)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 66576451 | 113405 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 578 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(F)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325790 | 113405 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 578 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(F)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711181 | 113406 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Br)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325791 | 113406 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 618 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Br)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576221 | 113447 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 8 | 1 | 8 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C#N)c2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325896 | 113447 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 8 | 1 | 8 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C#N)c2)c1C | 10.1021/jm500588w | ||
| 71607632 | 103731 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098242 | 103731 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 11561748 | 91668 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 463 | 6 | 1 | 8 | 2.6 | CCOC(=O)c1cnc(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1 | 10.1021/jm400820m | ||
| CHEMBL2419496 | 91668 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 463 | 6 | 1 | 8 | 2.6 | CCOC(=O)c1cnc(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1 | 10.1021/jm400820m | ||
| 44296000 | 14622 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 702 | 10 | 3 | 9 | 5.9 | CC(CC[C@@H](C)C1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@]12C)C(C)(C)C | 10.1016/s0960-894x(03)00260-9 | ||
| CHEMBL1206719 | 14622 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 702 | 10 | 3 | 9 | 5.9 | CC(CC[C@@H](C)C1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@]12C)C(C)(C)C | 10.1016/s0960-894x(03)00260-9 | ||
| CHEMBL299895 | 14622 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 702 | 10 | 3 | 9 | 5.9 | CC(CC[C@@H](C)C1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@]12C)C(C)(C)C | 10.1016/s0960-894x(03)00260-9 | ||
| 24752421 | 62511 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 529 | 5 | 1 | 6 | 4.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784223 | 62511 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 529 | 5 | 1 | 6 | 4.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 118711247 | 113446 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 561 | 8 | 0 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(OC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325895 | 113446 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 561 | 8 | 0 | 8 | 4.8 | CCCC(=O)c1cnn(-c2ccc(OC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 168283736 | 192301 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 688 | 10 | 3 | 9 | 5.5 | C[C@H](CC[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5183695 | 192301 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 688 | 10 | 3 | 9 | 5.5 | C[C@H](CC[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5222086 | 192301 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 688 | 10 | 3 | 9 | 5.5 | C[C@H](CC[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C | 10.1016/j.ejmech.2021.113924 | ||
| 68911008 | 90886 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 466 | 6 | 2 | 7 | 2.6 | CCOC(=O)c1cnc(N2CCC(NC(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402261 | 90886 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 466 | 6 | 2 | 7 | 2.6 | CCOC(=O)c1cnc(N2CCC(NC(=O)NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 71607665 | 103737 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 554 | 11 | 4 | 11 | 2.4 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(F)CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098250 | 103737 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 554 | 11 | 4 | 11 | 2.4 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(F)CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 24752557 | 62476 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784189 | 62476 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 68598694 | 126140 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 694 | 13 | 3 | 9 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O[C@H](C)C(=O)N3CCC[C@H]3C(=O)NCC3CC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652612 | 126140 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 694 | 13 | 3 | 9 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O[C@H](C)C(=O)N3CCC[C@H]3C(=O)NCC3CC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 68599106 | 126143 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 708 | 13 | 2 | 10 | 2.3 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652615 | 126143 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 708 | 13 | 2 | 10 | 2.3 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 68599934 | 126145 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 622 | 11 | 2 | 8 | 2.1 | CCCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccccc3n2)CC1 | nan | ||
| CHEMBL3652617 | 126145 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 622 | 11 | 2 | 8 | 2.1 | CCCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccccc3n2)CC1 | nan | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2016.04.030 | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2016.04.030 | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2016.04.030 | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2016.04.030 | ||
| 66575819 | 113329 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325627 | 113329 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 127047545 | 139046 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 558 | 10 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(C)(C)C(=O)O)c3ccc(C)cc3n2)CC1 | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL3797316 | 139046 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 558 | 10 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(C)(C)C(=O)O)c3ccc(C)cc3n2)CC1 | 10.1016/j.bmcl.2016.04.030 | ||
| 66576610 | 113407 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C(F)(F)F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325792 | 113407 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C(F)(F)F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 16066663 | 77789 | 32 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 523 | 5 | 4 | 8 | 3.1 | CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL2103828 | 77789 | 32 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 523 | 5 | 4 | 8 | 3.1 | CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F | 10.1016/j.ejmech.2021.113924 | ||
| 118711085 | 113347 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325647 | 113347 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711089 | 113351 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325651 | 113351 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCCC4CN)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711175 | 113398 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 590 | 10 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(F)F)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325783 | 113398 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 590 | 10 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(F)F)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711177 | 113400 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 596 | 8 | 2 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@@H](O)CN5C[C@@H]4C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325785 | 113400 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 596 | 8 | 2 | 8 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@@H](O)CN5C[C@@H]4C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711178 | 113401 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 538 | 8 | 2 | 7 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4CN5)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325786 | 113401 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 538 | 8 | 2 | 7 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4CN5)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576377 | 113404 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 556 | 9 | 1 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(OC)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325789 | 113404 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 556 | 9 | 1 | 8 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(OC)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576375 | 120063 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325631 | 120063 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3545654 | 120063 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576298 | 113321 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 560 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325452 | 113321 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 560 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576451 | 113405 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 578 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(F)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325790 | 113405 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 578 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(F)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711182 | 113408 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325793 | 113408 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576220 | 113421 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325805 | 113421 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576448 | 120062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325630 | 120062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3545653 | 120062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576375 | 120063 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325631 | 120063 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3545654 | 120063 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2013.11.055 | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2013.11.055 | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2013.11.055 | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2013.11.055 | ||
| 11561748 | 91668 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 463 | 6 | 1 | 8 | 2.6 | CCOC(=O)c1cnc(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1 | 10.1021/jm400820m | ||
| CHEMBL2419496 | 91668 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 463 | 6 | 1 | 8 | 2.6 | CCOC(=O)c1cnc(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1 | 10.1021/jm400820m | ||
| 24752271 | 62503 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784216 | 62503 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 24752270 | 62504 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784217 | 62504 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3C)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.0c01524 | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.0c01524 | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.0c01524 | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.0c01524 | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/acs.jmedchem.0c01524 | ||
| 67460979 | 113127 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 9 | 2 | 7 | 2.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322626 | 113127 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 9 | 2 | 7 | 2.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 67463220 | 113141 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 9 | 3 | 9 | 1.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322639 | 113141 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 9 | 3 | 9 | 1.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 11656053 | 90878 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402253 | 90878 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 22184858 | 164447 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 428 | 7 | 1 | 6 | 2.1 | CCCOc1cc(C(=O)NCC(=O)N2CCN(C(=O)OCC)CC2)nc2ccccc12 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4225733 | 164447 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 428 | 7 | 1 | 6 | 2.1 | CCCOc1cc(C(=O)NCC(=O)N2CCN(C(=O)OCC)CC2)nc2ccccc12 | 10.1016/j.bmcl.2018.03.090 | ||
| 12001567 | 113130 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 9 | 2 | 8 | 2.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccncc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322629 | 113130 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 9 | 2 | 8 | 2.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccncc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 12001030 | 113136 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 566 | 10 | 2 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CN3CCCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322634 | 113136 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 566 | 10 | 2 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CN3CCCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 118711188 | 113414 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)ccc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325799 | 113414 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 540 | 8 | 1 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)ccc34)cc2)c1C | 10.1021/jm500588w | ||
| 54583974 | 62497 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784210 | 62497 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711250 | 113450 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 602 | 7 | 0 | 8 | 4.6 | CCCC(=O)c1cnn(-c2ccc3c(c2)OCCN3C(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C | 10.1021/jm500588w | ||
| CHEMBL3325899 | 113450 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 602 | 7 | 0 | 8 | 4.6 | CCCC(=O)c1cnn(-c2ccc3c(c2)OCCN3C(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C | 10.1021/jm500588w | ||
| 67462183 | 113139 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 542 | 11 | 4 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(C)CO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322637 | 113139 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 542 | 11 | 4 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(C)CO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 11627317 | 90861 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 490 | 6 | 1 | 7 | 3.7 | CCCC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402152 | 90861 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 490 | 6 | 1 | 7 | 3.7 | CCCC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 54584960 | 62525 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 6 | 1 | 6 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCCc3cccs3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784240 | 62525 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 6 | 1 | 6 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCCc3cccs3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 54585885 | 62501 | 2 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 416 | 6 | 1 | 5 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCCc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784214 | 62501 | 2 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 416 | 6 | 1 | 5 | 3.0 | CCOC(=O)c1cnc(N2CCN(C(=O)NCCc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711194 | 113424 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 614 | 8 | 1 | 7 | 5.3 | Cc1c(C(=O)CCC(F)(F)F)cnn1-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)cc1 | 10.1021/jm500588w | ||
| CHEMBL3325808 | 113424 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 614 | 8 | 1 | 7 | 5.3 | Cc1c(C(=O)CCC(F)(F)F)cnn1-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)cc1 | 10.1021/jm500588w | ||
| 24752561 | 62502 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784215 | 62502 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 3.2 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3ccccc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 68910943 | 91669 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419497 | 91669 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1021/jm400820m | ||
| 67462816 | 113126 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 2.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C3CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322625 | 113126 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 2.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C3CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 24750874 | 62513 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 529 | 6 | 1 | 6 | 4.9 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3nc(C(F)(F)F)c(C(=O)OCC)cc3C#N)CC2)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784225 | 62513 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 529 | 6 | 1 | 6 | 4.9 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3nc(C(F)(F)F)c(C(=O)OCC)cc3C#N)CC2)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711189 | 113416 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 569 | 9 | 2 | 8 | 3.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C(N)=O)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325800 | 113416 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 569 | 9 | 2 | 8 | 3.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C(N)=O)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 69224555 | 91660 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419487 | 91660 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C | 10.1021/jm400820m | ||
| 68911289 | 90880 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1021/acs.jmedchem.1c01571 | ||
| CHEMBL2402255 | 90880 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1021/acs.jmedchem.1c01571 | ||
| CHEMBL5206028 | 90880 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1021/acs.jmedchem.1c01571 | ||
| 68911289 | 90880 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402255 | 90880 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL5206028 | 90880 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 66575899 | 113442 | 2 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)nn2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325891 | 113442 | 2 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 8 | 1 | 9 | 3.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)nn2)c1C | 10.1021/jm500588w | ||
| 68910943 | 91669 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL2419497 | 91669 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.bmcl.2016.04.030 | ||
| 137630841 | 160566 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 424 | 3 | 4 | 7 | 3.0 | Cc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1O | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL4069492 | 160566 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 424 | 3 | 4 | 7 | 3.0 | Cc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1O | 10.1021/acs.jmedchem.7b00030 | ||
| CHEMBL4117118 | 160566 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 424 | 3 | 4 | 7 | 3.0 | Cc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1O | 10.1021/acs.jmedchem.7b00030 | ||
| 118711081 | 113343 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325643 | 113343 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711182 | 113408 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325793 | 113408 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 574 | 8 | 1 | 7 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711192 | 113422 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 546 | 7 | 1 | 7 | 4.4 | CCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325806 | 113422 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 546 | 7 | 1 | 7 | 4.4 | CCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 24751998 | 62495 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1784208 | 62495 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24751851 | 62494 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784207 | 62494 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 422 | 4 | 1 | 5 | 3.9 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 24751998 | 62495 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784208 | 62495 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.6 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711070 | 113332 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 9 | 3 | 7 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@H]4CCNC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325632 | 113332 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 9 | 3 | 7 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@H]4CCNC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711075 | 113337 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 551 | 11 | 2 | 8 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCn4ccnc4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325637 | 113337 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 551 | 11 | 2 | 8 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCn4ccnc4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 11949423 | 191777 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 582 | 11 | 2 | 9 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL5207480 | 191777 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 582 | 11 | 2 | 9 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC[C@@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 24750561 | 62522 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 470 | 6 | 1 | 5 | 4.7 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ncc(C(=O)OCC)cc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784234 | 62522 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 470 | 6 | 1 | 5 | 4.7 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ncc(C(=O)OCC)cc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 11503160 | 90882 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 6 | 2 | 8 | 1.3 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402257 | 90882 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 6 | 2 | 8 | 1.3 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 68918061 | 90851 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402143 | 90851 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 71607663 | 103733 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098244 | 103733 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@@H]3F)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 11677907 | 90852 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2C)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402144 | 90852 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 5 | 1 | 9 | 2.8 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2C)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 46233355 | 198865 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 9 | 2 | 7 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL598998 | 198865 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 9 | 2 | 7 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 44554515 | 111439 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288123 | 111439 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 526 | 9 | 1 | 8 | 4.0 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC | 10.1016/j.bmcl.2014.04.001 | ||
| 68601482 | 126133 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 702 | 12 | 3 | 9 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3cc(F)c(F)cc3n2)CC1 | nan | ||
| CHEMBL3652605 | 126133 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 702 | 12 | 3 | 9 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3cc(F)c(F)cc3n2)CC1 | nan | ||
| 118711087 | 113349 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(NC)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325649 | 113349 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(NC)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71607592 | 103727 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 7 | 5 | 11 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098238 | 103727 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 7 | 5 | 11 | 1.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 11641496 | 90855 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 478 | 4 | 1 | 8 | 2.5 | COC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402147 | 90855 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 478 | 4 | 1 | 8 | 2.5 | COC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 118711095 | 113357 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325657 | 113357 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711176 | 113399 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 608 | 9 | 1 | 7 | 5.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(F)(F)F)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325784 | 113399 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 608 | 9 | 1 | 7 | 5.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(F)(F)F)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71740819 | 90864 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1ccc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402155 | 90864 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1ccc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 54579996 | 62496 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 430 | 5 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784209 | 62496 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 430 | 5 | 1 | 5 | 4.4 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 68600085 | 126132 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 694 | 12 | 3 | 9 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NCC(F)(F)F)c3ccccc3n2)CC1 | nan | ||
| CHEMBL3652604 | 126132 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 694 | 12 | 3 | 9 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NCC(F)(F)F)c3ccccc3n2)CC1 | nan | ||
| 15983052 | 91655 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3C)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419482 | 91655 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 7 | 1 | 8 | 1.8 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3C)C2)nc1C | 10.1021/jm400820m | ||
| 68910943 | 91669 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419497 | 91669 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 6 | 1 | 9 | 2.1 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1021/jm400820m | ||
| 11699570 | 90874 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402249 | 90874 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 68842714 | 90893 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 460 | 7 | 2 | 6 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2CCC(=O)O)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402268 | 90893 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 460 | 7 | 2 | 6 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2CCC(=O)O)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 54579995 | 62482 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784195 | 62482 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 11497605 | 90872 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402247 | 90872 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 10294407 | 164556 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 400 | 5 | 1 | 6 | 1.3 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227347 | 164556 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 400 | 5 | 1 | 6 | 1.3 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 69224054 | 91665 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 484 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419493 | 91665 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 484 | 7 | 1 | 8 | 2.6 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 66576220 | 113421 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325805 | 113421 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 73603967 | 113445 | 5 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 3.5 | CCCC(=O)c1cnn(C2CCN(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325894 | 113445 | 5 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 3.5 | CCCC(=O)c1cnn(C2CCN(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C | 10.1021/jm500588w | ||
| 118711973 | 113569 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 9 | 2 | 6 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326906 | 113569 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 9 | 2 | 6 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711179 | 113402 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 552 | 8 | 1 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4CN5C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325787 | 113402 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 552 | 8 | 1 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4CN5C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711094 | 113356 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CN(C)CC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325656 | 113356 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CN(C)CC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711100 | 113363 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCCC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325663 | 113363 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCCC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 70922234 | 113365 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCNC(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325665 | 113365 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCNC(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711193 | 113423 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 532 | 6 | 1 | 7 | 4.0 | CC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325807 | 113423 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 532 | 6 | 1 | 7 | 4.0 | CC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 66576610 | 113407 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C(F)(F)F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325792 | 113407 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C(F)(F)F)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 44555026 | 111450 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 1 | 7 | 3.1 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288134 | 111450 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 468 | 8 | 1 | 7 | 3.1 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.bmcl.2014.04.001 | ||
| 68600647 | 126136 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 762 | 14 | 2 | 10 | 3.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OCC2CCCC2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652608 | 126136 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 762 | 14 | 2 | 10 | 3.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OCC2CCCC2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 118711079 | 113341 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325641 | 113341 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711082 | 113344 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325644 | 113344 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 24937181 | 195773 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 3 | 9 | 2.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL569732 | 195773 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 3 | 9 | 2.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2021.113924 | ||
| 118711088 | 113350 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325650 | 113350 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 12001479 | 113135 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 535 | 9 | 3 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3cn[nH]c3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322633 | 113135 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 535 | 9 | 3 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3cn[nH]c3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 127038949 | 136625 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1020 | 18 | 10 | 26 | 2.5 | CNc1nc(SC)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(NC)nc(SC)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 46241636 | 136625 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1020 | 18 | 10 | 26 | 2.5 | CNc1nc(SC)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(NC)nc(SC)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3746852 | 136625 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1020 | 18 | 10 | 26 | 2.5 | CNc1nc(SC)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(NC)nc(SC)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747878 | 136625 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1020 | 18 | 10 | 26 | 2.5 | CNc1nc(SC)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(NC)nc(SC)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 11620159 | 91670 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 491 | 6 | 1 | 8 | 3.3 | CCOC(=O)c1cnc(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1021/jm400820m | ||
| CHEMBL2419498 | 91670 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 491 | 6 | 1 | 8 | 3.3 | CCOC(=O)c1cnc(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1021/jm400820m | ||
| 118711248 | 113448 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 604 | 9 | 2 | 8 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C(=O)O)c2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325897 | 113448 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 604 | 9 | 2 | 8 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C(=O)O)c2)c1C | 10.1021/jm500588w | ||
| 24752419 | 62506 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3cccc(C)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784219 | 62506 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 475 | 5 | 1 | 6 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3cccc(C)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 118711100 | 113363 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCCC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325663 | 113363 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCCC5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711183 | 113409 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 551 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C#N)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325794 | 113409 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 551 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C#N)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118710242 | 113146 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 3 | 9 | 0.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322644 | 113146 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 3 | 9 | 0.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 24752422 | 62479 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784192 | 62479 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.5 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 44296487 | 101564 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 284 | 1 | 1 | 6 | 1.7 | COc1cccc2c1N1C(O)=CS(=O)(=O)N=C1S2 | 10.1016/s0960-894x(01)00313-4 | ||
| CHEMBL301805 | 101564 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 284 | 1 | 1 | 6 | 1.7 | COc1cccc2c1N1C(O)=CS(=O)(=O)N=C1S2 | 10.1016/s0960-894x(01)00313-4 | ||
| 24751576 | 62520 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 470 | 5 | 1 | 5 | 4.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784232 | 62520 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 470 | 5 | 1 | 5 | 4.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 11519648 | 90869 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 551 | 5 | 1 | 9 | 3.1 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402244 | 90869 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 551 | 5 | 1 | 9 | 3.1 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 15983301 | 90884 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 457 | 7 | 2 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402259 | 90884 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 457 | 7 | 2 | 8 | 1.5 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 145969559 | 164602 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 529 | 7 | 2 | 6 | 3.4 | CCOC(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4228020 | 164602 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 529 | 7 | 2 | 6 | 3.4 | CCOC(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 68599474 | 126146 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 732 | 14 | 3 | 11 | 1.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCc2nnn[nH]2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652618 | 126146 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 732 | 14 | 3 | 11 | 1.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCc2nnn[nH]2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 66576220 | 113421 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325805 | 113421 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 629 | 8 | 1 | 8 | 4.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)C5C4)c4ccc(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 127047545 | 139046 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 558 | 10 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(C)(C)C(=O)O)c3ccc(C)cc3n2)CC1 | 10.1016/j.bmcl.2016.04.030 | ||
| CHEMBL3797316 | 139046 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 558 | 10 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(C)(C)C(=O)O)c3ccc(C)cc3n2)CC1 | 10.1016/j.bmcl.2016.04.030 | ||
| 118711969 | 113565 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 10 | 3 | 7 | 4.6 | CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccccc3OCCCC(=O)O)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326902 | 113565 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 10 | 3 | 7 | 4.6 | CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)Nc3ccccc3OCCCC(=O)O)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL53599 | 193072 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 568 | 7 | 2 | 12 | 2.7 | COc1ccc2c(c1)SC1=NS(=O)(=O)C(C(=O)CS(=O)(=O)Nc3nc4ccc(OC)cc4s3)=C(O)N12 | 10.1016/s0960-894x(01)00313-4 | ||
| 118711070 | 113332 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 9 | 3 | 7 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@H]4CCNC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325632 | 113332 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 9 | 3 | 7 | 4.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@H]4CCNC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711078 | 113340 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C4CCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325640 | 113340 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C4CCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711082 | 113344 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325644 | 113344 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 540 | 8 | 2 | 7 | 4.6 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711099 | 113362 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 566 | 9 | 1 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C5CC5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325662 | 113362 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 566 | 9 | 1 | 7 | 5.0 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C5CC5)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711173 | 113395 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 568 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC(C)N(C)C(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325780 | 113395 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 568 | 8 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC(C)N(C)C(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711067 | 113331 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 499 | 8 | 1 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325629 | 113331 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 499 | 8 | 1 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C)c4cc(C)c(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 11699570 | 90874 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402249 | 90874 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 545 | 5 | 1 | 8 | 3.0 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 90644281 | 111446 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 486 | 9 | 1 | 7 | 3.3 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1CF | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL3288130 | 111446 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 486 | 9 | 1 | 7 | 3.3 | CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1CF | 10.1016/j.bmcl.2014.04.001 | ||
| 118711194 | 113424 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 614 | 8 | 1 | 7 | 5.3 | Cc1c(C(=O)CCC(F)(F)F)cnn1-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)cc1 | 10.1021/jm500588w | ||
| CHEMBL3325808 | 113424 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 614 | 8 | 1 | 7 | 5.3 | Cc1c(C(=O)CCC(F)(F)F)cnn1-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)cc1 | 10.1021/jm500588w | ||
| 118711101 | 113364 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C(C)C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325664 | 113364 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 9 | 1 | 7 | 5.2 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C(C)C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 24752711 | 62505 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3cccc(F)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784218 | 62505 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NCc3cccc(F)c3)CC2)nc1C(F)(F)F | 10.1016/j.bmcl.2011.03.088 | ||
| 68598525 | 126135 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 679 | 12 | 3 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| CHEMBL3652607 | 126135 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 679 | 12 | 3 | 9 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3ccc(C)cc3n2)CC1 | nan | ||
| 118711064 | 113327 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3c(C)n(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325625 | 113327 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 5.1 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3c(C)n(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711080 | 113342 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325642 | 113342 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 22184814 | 164420 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 414 | 6 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4225388 | 164420 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 414 | 6 | 1 | 6 | 1.7 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 71607666 | 103734 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 7 | 3 | 9 | 2.8 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C=C[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| CHEMBL3098246 | 103734 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 7 | 3 | 9 | 2.8 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C=C[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2013.11.055 | ||
| 68913141 | 90883 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 477 | 6 | 2 | 8 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402258 | 90883 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 477 | 6 | 2 | 8 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 118711178 | 113401 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 538 | 8 | 2 | 7 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4CN5)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325786 | 113401 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 538 | 8 | 2 | 7 | 4.3 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4CN5)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 145967492 | 164627 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 8 | 2 | 7 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4228420 | 164627 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 8 | 2 | 7 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 145986356 | 164685 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 419 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCN(C(=O)CNC(=O)C=C2c3ccccc3-c3ccccc32)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4229219 | 164685 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 419 | 4 | 1 | 4 | 2.5 | CCOC(=O)N1CCN(C(=O)CNC(=O)C=C2c3ccccc3-c3ccccc32)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 145970199 | 164537 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 490 | 7 | 1 | 6 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227070 | 164537 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 490 | 7 | 1 | 6 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711085 | 113347 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325647 | 113347 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(N(C)C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 11684524 | 90877 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402252 | 90877 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 486 | 5 | 1 | 7 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3Cl)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 15982392 | 90888 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 485 | 7 | 2 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402263 | 90888 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 485 | 7 | 2 | 8 | 2.2 | CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 118711076 | 113338 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 11 | 2 | 7 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC(C)CN(C)C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325638 | 113338 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 11 | 2 | 7 | 4.7 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NC(C)CN(C)C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 54586076 | 62225 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 388 | 4 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782536 | 62225 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 388 | 4 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 69224603 | 91654 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 1.9 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)CC3CCCCC3)C2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419481 | 91654 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 1.9 | CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)CC3CCCCC3)C2)nc1C | 10.1021/jm400820m | ||
| 118711092 | 113354 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCN(C)C5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325654 | 113354 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 566 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC5CCN(C)C5C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 54586076 | 62225 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 388 | 4 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1782536 | 62225 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 388 | 4 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 22184796 | 164620 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 418 | 5 | 1 | 5 | 2.6 | COc1cc(C(=O)NCC(=O)N2CCN(c3cccc(C)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4228342 | 164620 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 418 | 5 | 1 | 5 | 2.6 | COc1cc(C(=O)NCC(=O)N2CCN(c3cccc(C)c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2018.03.090 | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 68598844 | 126138 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 684 | 11 | 3 | 9 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3cc(F)c(C)cc3n2)CC1 | nan | ||
| CHEMBL3652610 | 126138 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 684 | 11 | 3 | 9 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)c3cc(F)c(C)cc3n2)CC1 | nan | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 10.1016/j.bmcl.2014.04.001 | ||
| 118710247 | 113156 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 13 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322654 | 113156 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 581 | 13 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@H]3COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 68911289 | 90880 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402255 | 90880 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL5206028 | 90880 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 483 | 6 | 2 | 9 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 11526078 | 90876 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402251 | 90876 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 2.8 | CCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 118711080 | 113342 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325642 | 113342 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CC4CCCN(C)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711095 | 113357 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325657 | 113357 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 554 | 9 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711096 | 113358 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 11 | 1 | 7 | 5.6 | CCCCN1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(-n4ncc(C(=O)CCC)c4C)cc3)c3cc(C)ccc32)CC1 | 10.1021/jm500588w | ||
| CHEMBL3325658 | 113358 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 11 | 1 | 7 | 5.6 | CCCCN1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(-n4ncc(C(=O)CCC)c4C)cc3)c3cc(C)ccc32)CC1 | 10.1021/jm500588w | ||
| 69224988 | 91664 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 500 | 8 | 1 | 9 | 2.3 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(OC)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| CHEMBL2419492 | 91664 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 500 | 8 | 1 | 9 | 2.3 | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(OC)cc3)CC2)nc1C | 10.1021/jm400820m | ||
| 22185105 | 164585 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 427 | 4 | 2 | 5 | 1.6 | COc1cc(C(=O)NCC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)nc2ccccc12 | 10.1016/j.bmcl.2018.03.090 | ||
| CHEMBL4227774 | 164585 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 427 | 4 | 2 | 5 | 1.6 | COc1cc(C(=O)NCC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)nc2ccccc12 | 10.1016/j.bmcl.2018.03.090 | ||
| 118711072 | 113334 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 528 | 11 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN(C)C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325634 | 113334 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 528 | 11 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCCN(C)C)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 24751574 | 62224 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 379 | 4 | 1 | 6 | 2.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(C#N)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL1782535 | 62224 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 379 | 4 | 1 | 6 | 2.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(C#N)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 24751574 | 62224 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 379 | 4 | 1 | 6 | 2.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782535 | 62224 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 379 | 4 | 1 | 6 | 2.5 | CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711066 | 113330 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 472 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)OC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325628 | 113330 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 472 | 8 | 1 | 7 | 4.9 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)OC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711250 | 113450 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 602 | 7 | 0 | 8 | 4.6 | CCCC(=O)c1cnn(-c2ccc3c(c2)OCCN3C(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C | 10.1021/jm500588w | ||
| CHEMBL3325899 | 113450 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 602 | 7 | 0 | 8 | 4.6 | CCCC(=O)c1cnn(-c2ccc3c(c2)OCCN3C(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C | 10.1021/jm500588w | ||
| 127040997 | 136620 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 968 | 14 | 10 | 24 | 1.4 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 46240803 | 136620 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 968 | 14 | 10 | 24 | 1.4 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3746502 | 136620 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 968 | 14 | 10 | 24 | 1.4 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| CHEMBL3747873 | 136620 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 968 | 14 | 10 | 24 | 1.4 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | 10.1016/j.ejmech.2015.10.055 | ||
| 71740705 | 90863 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 526 | 6 | 1 | 8 | 2.9 | CCCS(=O)(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402154 | 90863 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 526 | 6 | 1 | 8 | 2.9 | CCCS(=O)(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 68913141 | 90883 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 6 | 2 | 8 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402258 | 90883 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 6 | 2 | 8 | 2.0 | CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)cc3)C2)nc1C | 10.1016/j.ejmech.2013.04.007 | ||
| 118711071 | 113333 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 528 | 11 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCNC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325633 | 113333 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 528 | 11 | 2 | 7 | 4.4 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CCNC)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 118711084 | 113346 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 540 | 9 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325646 | 113346 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 540 | 9 | 2 | 7 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC(NC)C4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 68911088 | 90850 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 623 | 8 | 2 | 10 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C(CCC(=O)O)C2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402142 | 90850 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 623 | 8 | 2 | 10 | 3.3 | CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C(CCC(=O)O)C2)nc1C(F)(F)F | 10.1016/j.ejmech.2013.04.007 | ||
| 11706300 | 90857 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 520 | 7 | 1 | 8 | 3.6 | CCCCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402149 | 90857 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 520 | 7 | 1 | 8 | 3.6 | CCCCOC(=O)c1cnc(N2CCN(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 118711081 | 113343 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325643 | 113343 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCN(C)CC4)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 67459556 | 113113 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 526 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322612 | 113113 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 526 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 24751996 | 62521 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784233 | 62521 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.5 | CCOC(=O)c1cnc(N2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711248 | 113448 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 604 | 9 | 2 | 8 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C(=O)O)c2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325897 | 113448 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 604 | 9 | 2 | 8 | 4.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)c(C(=O)O)c2)c1C | 10.1021/jm500588w | ||
| 54580994 | 62471 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)N(C)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784184 | 62471 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)N(C)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 12000684 | 113140 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 556 | 12 | 3 | 9 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(C)COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322638 | 113140 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 556 | 12 | 3 | 9 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(C)COC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2014.06.070 | ||
| 24751710 | 62518 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1784230 | 62518 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.3 | CCOC(=O)c1cnc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 66575818 | 113570 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 458 | 8 | 2 | 6 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3326907 | 113570 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 458 | 8 | 2 | 6 | 4.8 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 67463976 | 113110 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 11 | 2 | 7 | 2.8 | CCCCc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)n1 | 10.1016/j.bmcl.2014.06.070 | ||
| CHEMBL3322599 | 113110 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 11 | 2 | 7 | 2.8 | CCCCc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)n1 | 10.1016/j.bmcl.2014.06.070 | ||
| 54585098 | 62229 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 374 | 3 | 1 | 5 | 2.9 | COC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| CHEMBL1782541 | 62229 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 374 | 3 | 1 | 5 | 2.9 | COC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2011.03.088 | ||
| 118711186 | 113412 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Cl)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| CHEMBL3325797 | 113412 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 594 | 8 | 1 | 7 | 5.5 | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(Cl)c(Cl)cc34)cc2)c1C | 10.1021/jm500588w | ||
| 71740353 | 90895 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.6 | CCOC(=O)c1cnc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| CHEMBL2402270 | 90895 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.6 | CCOC(=O)c1cnc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.ejmech.2013.04.007 | ||
| 1756 | 459 | 8 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2005.08.104 | ||
| 5310954 | 459 | 8 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2005.08.104 | ||
| CHEMBL336292 | 459 | 8 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1016/j.bmcl.2005.08.104 | ||
| 168296904 | 192388 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 501 | 9 | 6 | 13 | -0.2 | CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL5199350 | 192388 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 501 | 9 | 6 | 13 | -0.2 | CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL5222620 | 192388 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 501 | 9 | 6 | 13 | -0.2 | CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2022.128837 | ||
| 20690446 | 93983 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 470 | 8 | 4 | 10 | 2.1 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](C(=O)O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL251041 | 93983 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 470 | 8 | 4 | 10 | 2.1 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](C(=O)O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| 58334279 | 190070 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 430 | 6 | 0 | 8 | 3.6 | CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCF)nc2s1 | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL5181634 | 190070 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 430 | 6 | 0 | 8 | 3.6 | CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCF)nc2s1 | 10.1016/j.bmcl.2022.128837 | ||
| 45485957 | 195880 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 650 | 13 | 3 | 8 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570295 | 195880 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 650 | 13 | 3 | 8 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485932 | 195482 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 677 | 14 | 2 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567915 | 195482 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 677 | 14 | 2 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485963 | 195416 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 691 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567561 | 195416 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 691 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46232890 | 199247 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 664 | 14 | 3 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601696 | 199247 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 664 | 14 | 3 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485958 | 195447 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 665 | 14 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567740 | 195447 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 665 | 14 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485931 | 195190 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 679 | 16 | 2 | 9 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565974 | 195190 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 679 | 16 | 2 | 9 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44443939 | 93772 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 576 | 10 | 4 | 11 | 2.6 | OCCO[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL249790 | 93772 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 576 | 10 | 4 | 11 | 2.6 | OCCO[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| 46232949 | 199217 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 608 | 13 | 3 | 8 | 2.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(C(N)=O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601489 | 199217 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 608 | 13 | 3 | 8 | 2.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(C(N)=O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485966 | 195168 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 679 | 15 | 3 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565836 | 195168 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 679 | 15 | 3 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485957 | 195880 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 650 | 13 | 3 | 8 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL570295 | 195880 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 650 | 13 | 3 | 8 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485898 | 195500 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 609 | 12 | 3 | 9 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568059 | 195500 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 609 | 12 | 3 | 9 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485962 | 195354 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 677 | 12 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567133 | 195354 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 677 | 12 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485943 | 195441 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 654 | 15 | 3 | 10 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCO)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567709 | 195441 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 654 | 15 | 3 | 10 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCO)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485959 | 195533 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 679 | 14 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568211 | 195533 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 679 | 14 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46232887 | 199246 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 676 | 13 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601695 | 199246 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 676 | 13 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 44129060 | 81913 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 709 | 15 | 3 | 10 | 2.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172149 | 81913 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 709 | 15 | 3 | 10 | 2.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45485961 | 195330 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 677 | 13 | 2 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566913 | 195330 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 677 | 13 | 2 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485965 | 195097 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 665 | 14 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565409 | 195097 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 665 | 14 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)NC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485968 | 196070 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 691 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL571599 | 196070 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 691 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46232894 | 199249 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601698 | 199249 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485952 | 195876 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 691 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570275 | 195876 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 691 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485886 | 195806 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 596 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569914 | 195806 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 596 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45141136 | 195684 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 595 | 15 | 2 | 7 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL569097 | 195684 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 595 | 15 | 2 | 7 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142217 | 199243 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 676 | 14 | 2 | 8 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL601692 | 199243 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 676 | 14 | 2 | 8 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142217 | 199243 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 676 | 14 | 2 | 8 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601692 | 199243 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 676 | 14 | 2 | 8 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232896 | 199279 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 678 | 14 | 2 | 8 | 3.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601903 | 199279 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 678 | 14 | 2 | 8 | 3.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485889 | 195313 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 610 | 14 | 2 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(OCC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566745 | 195313 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 610 | 14 | 2 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(OCC)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485922 | 195392 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567416 | 195392 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485884 | 195542 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 584 | 15 | 3 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568250 | 195542 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 584 | 15 | 3 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485849 | 195753 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 585 | 15 | 2 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569679 | 195753 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 585 | 15 | 2 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485850 | 195755 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 585 | 15 | 2 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569680 | 195755 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 585 | 15 | 2 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485904 | 195842 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 638 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570128 | 195842 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 638 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46232899 | 199281 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 676 | 13 | 2 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601905 | 199281 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 676 | 13 | 2 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485917 | 195822 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 665 | 12 | 2 | 10 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569995 | 195822 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 665 | 12 | 2 | 10 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485955 | 195878 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 651 | 12 | 2 | 9 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570289 | 195878 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 651 | 12 | 2 | 9 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45139405 | 197693 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 665 | 14 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590950 | 197693 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 665 | 14 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139408 | 199094 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 695 | 15 | 2 | 9 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600575 | 199094 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 695 | 15 | 2 | 9 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485938 | 195849 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 610 | 12 | 2 | 9 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570155 | 195849 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 610 | 12 | 2 | 9 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46233241 | 196864 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 683 | 15 | 2 | 10 | 4.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578094 | 196864 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 683 | 15 | 2 | 10 | 4.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233234 | 197805 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 721 | 14 | 4 | 9 | 4.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)NCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591712 | 197805 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 721 | 14 | 4 | 9 | 4.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)NCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232943 | 199213 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 676 | 13 | 2 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](C(=O)N4CCCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601485 | 199213 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 676 | 13 | 2 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](C(=O)N4CCCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485915 | 195846 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 663 | 13 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570152 | 195846 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 663 | 13 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45139236 | 195890 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 693 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570387 | 195890 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 693 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44129137 | 81894 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 733 | 15 | 3 | 12 | 1.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCc2nnn[nH]2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172129 | 81894 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 733 | 15 | 3 | 12 | 1.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCc2nnn[nH]2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 46233325 | 196912 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 639 | 12 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCC(OC)C3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578522 | 196912 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 639 | 12 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCC(OC)C3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141983 | 197493 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589519 | 197493 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140552 | 197952 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 667 | 13 | 2 | 9 | 3.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)CC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592850 | 197952 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 667 | 13 | 2 | 9 | 3.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)CC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141342 | 199210 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 662 | 13 | 2 | 8 | 4.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL601478 | 199210 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 662 | 13 | 2 | 8 | 4.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141983 | 197493 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589519 | 197493 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232879 | 197525 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 650 | 15 | 3 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589804 | 197525 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 650 | 15 | 3 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45141342 | 199210 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 662 | 13 | 2 | 8 | 4.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601478 | 199210 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 662 | 13 | 2 | 8 | 4.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 20690429 | 96591 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 469 | 8 | 4 | 10 | 1.5 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](C(N)=O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL266922 | 96591 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 469 | 8 | 4 | 10 | 1.5 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](C(N)=O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| 45485969 | 195092 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 705 | 14 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565363 | 195092 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 705 | 14 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485914 | 195838 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 649 | 12 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570064 | 195838 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 649 | 12 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45140751 | 197676 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 664 | 12 | 2 | 8 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590749 | 197676 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 664 | 12 | 2 | 8 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233243 | 197881 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 722 | 14 | 3 | 10 | 5.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592410 | 197881 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 722 | 14 | 3 | 10 | 5.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140554 | 197883 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 625 | 11 | 2 | 9 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592441 | 197883 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 625 | 11 | 2 | 9 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232911 | 197561 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 651 | 14 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(N)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590008 | 197561 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 651 | 14 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(N)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232950 | 197582 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(C(=O)NC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590146 | 197582 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(C(=O)NC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232942 | 197597 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 676 | 13 | 2 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](C(=O)N4CCCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590260 | 197597 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 676 | 13 | 2 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](C(=O)N4CCCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232940 | 199211 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 678 | 15 | 2 | 8 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](C(=O)N(CC)CC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601483 | 199211 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 678 | 15 | 2 | 8 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](C(=O)N(CC)CC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45140553 | 197958 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 639 | 12 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C3CCOC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592883 | 197958 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 639 | 12 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C3CCOC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233242 | 196908 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 682 | 15 | 3 | 10 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCCCN)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578507 | 196908 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 682 | 15 | 3 | 10 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCCCN)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142216 | 197466 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 650 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589335 | 197466 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 650 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142216 | 197466 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 650 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589335 | 197466 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 650 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2007.07.057 | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2007.07.057 | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2007.07.057 | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1016/j.bmcl.2007.07.057 | ||
| 44443935 | 153341 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 442 | 7 | 4 | 10 | 1.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL398295 | 153341 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 442 | 7 | 4 | 10 | 1.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| 45485944 | 195122 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 654 | 15 | 3 | 10 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OCCO)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565573 | 195122 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 654 | 15 | 3 | 10 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OCCO)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 11950687 | 195278 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 558 | 8 | 3 | 7 | 4.5 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566438 | 195278 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 558 | 8 | 3 | 7 | 4.5 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45272861 | 193810 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 584 | 15 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL552971 | 193810 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 584 | 15 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45270323 | 193577 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 566 | 9 | 3 | 8 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL551020 | 193577 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 566 | 9 | 3 | 8 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141135 | 196862 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 637 | 13 | 2 | 8 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578076 | 196862 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 637 | 13 | 2 | 8 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139404 | 197916 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 12 | 2 | 8 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592650 | 197916 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 12 | 2 | 8 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139592 | 198734 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 567 | 12 | 3 | 7 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598161 | 198734 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 567 | 12 | 3 | 7 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142222 | 199069 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 705 | 13 | 2 | 8 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)C(F)(F)F)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600370 | 199069 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 705 | 13 | 2 | 8 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)C(F)(F)F)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141980 | 199446 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 678 | 13 | 2 | 9 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603145 | 199446 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 678 | 13 | 2 | 9 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232921 | 197591 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 691 | 12 | 2 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590254 | 197591 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 691 | 12 | 2 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232930 | 199178 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 690 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(CN4CCCC4=O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601274 | 199178 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 690 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(CN4CCCC4=O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485950 | 195872 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 652 | 15 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570263 | 195872 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 652 | 15 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 21130371 | 14718 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 408 | 3 | 3 | 6 | 3.3 | Cc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 | 10.1021/jm1012193 | ||
| CHEMBL1207842 | 14718 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 408 | 3 | 3 | 6 | 3.3 | Cc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 | 10.1021/jm1012193 | ||
| CHEMBL445413 | 14718 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 408 | 3 | 3 | 6 | 3.3 | Cc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 | 10.1021/jm1012193 | ||
| 106250 | 14747 | 6 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 3 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(O)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| 106250 | 14747 | 6 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 3 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(O)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208092 | 14747 | 6 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 3 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(O)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL1208092 | 14747 | 6 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 3 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(O)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL496030 | 14747 | 6 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 3 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(O)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL496030 | 14747 | 6 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 3 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(O)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 25125169 | 14748 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 487 | 5 | 4 | 9 | 3.6 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ncccn3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208096 | 14748 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 487 | 5 | 4 | 9 | 3.6 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ncccn3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL496229 | 14748 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 487 | 5 | 4 | 9 | 3.6 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ncccn3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 25123834 | 14776 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 3 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208284 | 14776 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 3 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL522725 | 14776 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 3 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 3018777 | 59934 | 5 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 424 | 4 | 3 | 7 | 3.0 | COc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 | 10.1021/jm1012193 | ||
| CHEMBL1671995 | 59934 | 5 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 424 | 4 | 3 | 7 | 3.0 | COc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 | 10.1021/jm1012193 | ||
| CHEMBL1741070 | 59934 | 5 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 424 | 4 | 3 | 7 | 3.0 | COc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 | 10.1021/jm1012193 | ||
| 44129368 | 81949 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 667 | 13 | 3 | 10 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172270 | 81949 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 667 | 13 | 3 | 10 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 44129451 | 81904 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 609 | 10 | 2 | 9 | 0.9 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172139 | 81904 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 609 | 10 | 2 | 9 | 0.9 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45485887 | 195251 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 596 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCOCC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566309 | 195251 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 596 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCOCC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485897 | 195463 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 12 | 2 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567840 | 195463 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 12 | 2 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485930 | 195518 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 651 | 15 | 3 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNCC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568128 | 195518 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 651 | 15 | 3 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNCC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485928 | 195767 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569722 | 195767 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CNC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24937181 | 195773 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 596 | 12 | 3 | 9 | 2.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569732 | 195773 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 596 | 12 | 3 | 9 | 2.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485856 | 195798 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 654 | 16 | 2 | 10 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCCN3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569889 | 195798 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 654 | 16 | 2 | 10 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCCN3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45271154 | 193997 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556522 | 193997 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45269438 | 194327 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL560009 | 194327 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45271154 | 193997 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL556522 | 193997 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45269438 | 194327 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL560009 | 194327 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233330 | 196808 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 653 | 15 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL577630 | 196808 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 653 | 15 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142218 | 197517 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 597 | 16 | 3 | 8 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589719 | 197517 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 597 | 16 | 3 | 8 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139770 | 197519 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 595 | 14 | 3 | 7 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589737 | 197519 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 595 | 14 | 3 | 7 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140934 | 197831 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 637 | 12 | 2 | 8 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591991 | 197831 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 637 | 12 | 2 | 8 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233240 | 197880 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 653 | 13 | 2 | 9 | 5.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592409 | 197880 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 653 | 13 | 2 | 9 | 5.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139585 | 197900 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 610 | 13 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592535 | 197900 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 610 | 13 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139767 | 197956 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCCCN3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592881 | 197956 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCCCN3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139951 | 198531 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 526 | 11 | 3 | 7 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL596750 | 198531 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 526 | 11 | 3 | 7 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140164 | 199452 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)C3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603151 | 199452 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)C3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232882 | 197554 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 651 | 15 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590001 | 197554 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 651 | 15 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232927 | 199176 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 662 | 13 | 2 | 8 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(N4CCCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601272 | 199176 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 662 | 13 | 2 | 8 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(N4CCCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 66855175 | 81903 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 623 | 10 | 2 | 9 | 1.3 | CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172138 | 81903 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 623 | 10 | 2 | 9 | 1.3 | CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45140745 | 198948 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 551 | 9 | 2 | 7 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599422 | 198948 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 551 | 9 | 2 | 7 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 24829943 | 194240 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 527 | 11 | 4 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL559259 | 194240 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 527 | 11 | 4 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24829943 | 194240 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 527 | 11 | 4 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL559259 | 194240 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 527 | 11 | 4 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45267707 | 194295 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 9 | 2 | 8 | 1.1 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL559689 | 194295 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 9 | 2 | 8 | 1.1 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 46233356 | 198866 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 8 | 2 | 7 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598999 | 198866 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 8 | 2 | 7 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485848 | 195711 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 571 | 14 | 2 | 9 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569319 | 195711 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 571 | 14 | 2 | 9 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485863 | 195789 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569815 | 195789 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485912 | 195837 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 653 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570060 | 195837 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 653 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485946 | 196098 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(COC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL571812 | 196098 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(COC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45267751 | 193219 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 12 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL540672 | 193219 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 12 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267751 | 193219 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 12 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL540672 | 193219 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 12 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141347 | 196865 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 691 | 12 | 2 | 8 | 3.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)C(F)(F)F)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578102 | 196865 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 691 | 12 | 2 | 8 | 3.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)C(F)(F)F)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139407 | 197449 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 695 | 16 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589216 | 197449 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 695 | 16 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140754 | 197690 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 623 | 17 | 3 | 7 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCNCC(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590874 | 197690 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 623 | 17 | 3 | 7 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCNCC(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141343 | 198765 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 567 | 14 | 3 | 7 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598387 | 198765 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 567 | 14 | 3 | 7 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232920 | 199203 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 693 | 14 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601447 | 199203 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 693 | 14 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232884 | 199244 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 664 | 15 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601693 | 199244 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 664 | 15 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232895 | 199250 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.5 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601699 | 199250 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.5 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45142448 | 199997 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 526 | 11 | 2 | 7 | 2.8 | CCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| CHEMBL606209 | 199997 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 526 | 11 | 2 | 7 | 2.8 | CCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| 11950159 | 195439 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 515 | 8 | 2 | 7 | 4.8 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL567702 | 195439 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 515 | 8 | 2 | 7 | 4.8 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 16120270 | 14775 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 472 | 4 | 4 | 7 | 3.4 | Nc1c(S(=O)(=O)O)cc(Nc2cc(Cl)ccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208282 | 14775 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 472 | 4 | 4 | 7 | 3.4 | Nc1c(S(=O)(=O)O)cc(Nc2cc(Cl)ccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL522053 | 14775 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 472 | 4 | 4 | 7 | 3.4 | Nc1c(S(=O)(=O)O)cc(Nc2cc(Cl)ccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45485864 | 195311 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 654 | 16 | 2 | 9 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566720 | 195311 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 654 | 16 | 2 | 9 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 3711684 | 14778 | 8 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 472 | 4 | 4 | 7 | 3.4 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208290 | 14778 | 8 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 472 | 4 | 4 | 7 | 3.4 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL524284 | 14778 | 8 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 472 | 4 | 4 | 7 | 3.4 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45139955 | 199447 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 581 | 13 | 3 | 7 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603146 | 199447 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 581 | 13 | 3 | 7 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232904 | 197507 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 638 | 14 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCO)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589597 | 197507 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 638 | 14 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCO)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232933 | 197595 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 12 | 3 | 8 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(N3CCC(O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590258 | 197595 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 12 | 3 | 8 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(N3CCC(O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45487796 | 195280 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 3 | 0 | 6 | 4.7 | CCc1cc2c(N3CCN(C(=O)Oc4cccc5ccccc45)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566447 | 195280 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 3 | 0 | 6 | 4.7 | CCc1cc2c(N3CCN(C(=O)Oc4cccc5ccccc45)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 66854575 | 81909 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 713 | 13 | 3 | 9 | 1.9 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172145 | 81909 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 713 | 13 | 3 | 9 | 1.9 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm300771j | ||
| 46233389 | 198766 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 485 | 8 | 2 | 4 | 4.0 | Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cccc(-c4ccccc4)c3)CC2)c1 | 10.1021/jm901518t | ||
| CHEMBL598388 | 198766 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 485 | 8 | 2 | 4 | 4.0 | Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cccc(-c4ccccc4)c3)CC2)c1 | 10.1021/jm901518t | ||
| 46233222 | 198620 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 556 | 13 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL597380 | 198620 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 556 | 13 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 44126037 | 1091 | 2 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 599 | 12 | 2 | 10 | 2.0 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O | 10.1021/jm300771j | ||
| 5905 | 1091 | 2 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 599 | 12 | 2 | 10 | 2.0 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O | 10.1021/jm300771j | ||
| CHEMBL2172277 | 1091 | 2 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 599 | 12 | 2 | 10 | 2.0 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O | 10.1021/jm300771j | ||
| 45485907 | 195829 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 666 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(=O)N(C)C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570020 | 195829 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 666 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(=O)N(C)C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45273819 | 193483 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 580 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL550278 | 193483 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 580 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45268593 | 194937 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 14 | 2 | 6 | 4.4 | CCCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL564150 | 194937 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 14 | 2 | 6 | 4.4 | CCCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm300771j | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm300771j | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm300771j | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm300771j | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1021/jm300771j | ||
| 45273819 | 193483 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 580 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL550278 | 193483 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 580 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45268593 | 194937 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 14 | 2 | 6 | 4.4 | CCCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL564150 | 194937 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 14 | 2 | 6 | 4.4 | CCCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140361 | 197793 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 598 | 16 | 2 | 8 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591619 | 197793 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 598 | 16 | 2 | 8 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45487821 | 195442 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 532 | 8 | 3 | 7 | 3.0 | CCc1cc2c(N3CCN(C(=O)Cc4ccc(F)c(F)c4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL567715 | 195442 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 532 | 8 | 3 | 7 | 3.0 | CCc1cc2c(N3CCN(C(=O)Cc4ccc(F)c(F)c4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45267728 | 194532 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 542 | 12 | 2 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL561484 | 194532 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 542 | 12 | 2 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233388 | 197497 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 561 | 9 | 2 | 4 | 5.6 | Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)CC2)c1 | 10.1021/jm901518t | ||
| CHEMBL589528 | 197497 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 561 | 9 | 2 | 4 | 5.6 | Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)CC2)c1 | 10.1021/jm901518t | ||
| 46233630 | 198870 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 536 | 10 | 1 | 6 | 3.8 | CCCCC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599006 | 198870 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 536 | 10 | 1 | 6 | 3.8 | CCCCC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45273798 | 194015 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 542 | 11 | 3 | 8 | 1.8 | CC(C)OC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556723 | 194015 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 542 | 11 | 3 | 8 | 1.8 | CC(C)OC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45270318 | 193498 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 12 | 2 | 7 | 3.6 | CCCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OC(C)C)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL550415 | 193498 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 554 | 12 | 2 | 7 | 3.6 | CCCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OC(C)C)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45485861 | 195788 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 624 | 13 | 2 | 9 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569781 | 195788 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 624 | 13 | 2 | 9 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44631970 | 193180 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539733 | 193180 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45271162 | 193640 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 544 | 10 | 2 | 7 | 3.4 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551484 | 193640 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 544 | 10 | 2 | 7 | 3.4 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45268642 | 193945 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 645 | 15 | 2 | 9 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556142 | 193945 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 645 | 15 | 2 | 9 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44631970 | 193180 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL539733 | 193180 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45273820 | 193181 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL539734 | 193181 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141581 | 197528 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 623 | 13 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589817 | 197528 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 623 | 13 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140155 | 198940 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 508 | 10 | 2 | 6 | 2.8 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCC2CC2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599399 | 198940 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 508 | 10 | 2 | 6 | 2.8 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCC2CC2)CC1 | 10.1021/jm901518t | ||
| 24829442 | 199568 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 544 | 9 | 2 | 6 | 3.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603866 | 199568 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 544 | 9 | 2 | 6 | 3.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 44631970 | 193180 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL539733 | 193180 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45273820 | 193181 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL539734 | 193181 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232902 | 197463 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 608 | 12 | 2 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589298 | 197463 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 608 | 12 | 2 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45270274 | 194085 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 562 | 9 | 2 | 5 | 5.0 | Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)c1 | 10.1021/jm901518t | ||
| CHEMBL557553 | 194085 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 562 | 9 | 2 | 5 | 5.0 | Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)c1 | 10.1021/jm901518t | ||
| 13991590 | 156824 | 44 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 492 | 7 | 6 | 9 | 3.9 | O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL4077922 | 156824 | 44 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 492 | 7 | 6 | 9 | 3.9 | O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O | 10.1016/j.ejmech.2021.113924 | ||
| 45269482 | 193124 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 581 | 10 | 3 | 8 | 2.5 | CC(C)OC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL538644 | 193124 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 581 | 10 | 3 | 8 | 2.5 | CC(C)OC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267738 | 194681 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 528 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL562485 | 194681 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 528 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267738 | 194681 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 528 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL562485 | 194681 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 528 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485858 | 195646 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 610 | 13 | 3 | 9 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568824 | 195646 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 610 | 13 | 3 | 9 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46232923 | 197564 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC[C@@H](O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590039 | 197564 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC[C@@H](O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232916 | 199313 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL602110 | 199313 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45487809 | 195277 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cn4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566437 | 195277 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cn4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45271977 | 193352 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.5 | CCC(=O)ON1CCN(C(=O)CNC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL549307 | 193352 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 6 | 1 | 6 | 1.5 | CCC(=O)ON1CCN(C(=O)CNC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 46233386 | 198907 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 1.8 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599202 | 198907 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 5 | 1 | 5 | 1.8 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45487841 | 195128 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 487 | 7 | 2 | 7 | 4.3 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL565618 | 195128 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 487 | 7 | 2 | 7 | 4.3 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45485882 | 195804 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 611 | 13 | 2 | 8 | 4.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SC3CCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569912 | 195804 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 611 | 13 | 2 | 8 | 4.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SC3CCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45141770 | 197669 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590742 | 197669 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232931 | 197569 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 636 | 13 | 3 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(C(N)=O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590087 | 197569 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 636 | 13 | 3 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(C(N)=O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 25863 | 59946 | 53 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 636 | 6 | 5 | 12 | 3.5 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL1672104 | 59946 | 53 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 636 | 6 | 5 | 12 | 3.5 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL1741102 | 59946 | 53 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 636 | 6 | 5 | 12 | 3.5 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| 11950328 | 195602 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 488 | 7 | 3 | 7 | 2.5 | CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568567 | 195602 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 488 | 7 | 3 | 7 | 2.5 | CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 66856100 | 81900 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 651 | 12 | 2 | 9 | 2.1 | CCC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172135 | 81900 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 651 | 12 | 2 | 9 | 2.1 | CCC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC)CC1 | 10.1021/jm300771j | ||
| 71455298 | 81929 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 598 | 11 | 2 | 10 | 0.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCCC3=O)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172166 | 81929 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 598 | 11 | 2 | 10 | 0.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCCC3=O)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 11950328 | 195602 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 488 | 7 | 3 | 7 | 2.5 | CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568567 | 195602 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 488 | 7 | 3 | 7 | 2.5 | CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45272880 | 193812 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 595 | 11 | 2 | 8 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL552973 | 193812 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 595 | 11 | 2 | 8 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45272036 | 193913 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 14 | 2 | 8 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL555342 | 193913 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 14 | 2 | 8 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45271155 | 193967 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556330 | 193967 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45272880 | 193812 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 595 | 11 | 2 | 8 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL552973 | 193812 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 595 | 11 | 2 | 8 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45272036 | 193913 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 14 | 2 | 8 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL555342 | 193913 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 14 | 2 | 8 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45271155 | 193967 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL556330 | 193967 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140162 | 197792 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 584 | 15 | 3 | 8 | 2.9 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591593 | 197792 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 584 | 15 | 3 | 8 | 2.9 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139945 | 198526 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 550 | 10 | 2 | 6 | 3.3 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCCC(F)(F)F)CC1 | 10.1021/jm901518t | ||
| CHEMBL596732 | 198526 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 550 | 10 | 2 | 6 | 3.3 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCCC(F)(F)F)CC1 | 10.1021/jm901518t | ||
| 45139953 | 199337 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 568 | 14 | 2 | 7 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL602294 | 199337 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 568 | 14 | 2 | 7 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232922 | 197592 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC[C@H](O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590255 | 197592 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 609 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC[C@H](O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 66854919 | 81895 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 652 | 12 | 3 | 10 | 0.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCN)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172130 | 81895 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 652 | 12 | 3 | 10 | 0.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCN)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45487838 | 195633 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 608 | 5 | 0 | 7 | 5.1 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCN(C(=O)C(F)(F)F)CC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568772 | 195633 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 608 | 5 | 0 | 7 | 5.1 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCN(C(=O)C(F)(F)F)CC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 66854714 | 81902 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 651 | 11 | 2 | 9 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C(C)C)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172137 | 81902 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 651 | 11 | 2 | 9 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C(C)C)CC1 | 10.1021/jm300771j | ||
| 45485854 | 195800 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 626 | 17 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCN(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569908 | 195800 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 626 | 17 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCN(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 25123180 | 14665 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 485 | 5 | 4 | 7 | 4.8 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1207384 | 14665 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 485 | 5 | 4 | 7 | 4.8 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL401859 | 14665 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 485 | 5 | 4 | 7 | 4.8 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 46233668 | 198561 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 556 | 8 | 1 | 6 | 4.0 | CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm901518t | ||
| CHEMBL596962 | 198561 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 556 | 8 | 1 | 6 | 4.0 | CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm901518t | ||
| 45272035 | 193419 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 556 | 12 | 2 | 8 | 2.4 | COCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OC(C)C)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL549727 | 193419 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 556 | 12 | 2 | 8 | 2.4 | COCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OC(C)C)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45485893 | 195081 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 609 | 14 | 4 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCC3CCNC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565249 | 195081 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 609 | 14 | 4 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCC3CCNC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485857 | 195801 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 638 | 13 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569909 | 195801 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 638 | 13 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 11670815 | 195524 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 517 | 8 | 3 | 8 | 3.6 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC[C@@H](O)CO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568148 | 195524 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 517 | 8 | 3 | 8 | 3.6 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC[C@@H](O)CO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 66856844 | 81920 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 695 | 14 | 3 | 10 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NCC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172156 | 81920 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 695 | 14 | 3 | 10 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NCC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45141776 | 197962 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 705 | 13 | 2 | 8 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)C(F)(F)F)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592887 | 197962 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 705 | 13 | 2 | 8 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)C(F)(F)F)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 9953334 | 93950 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 409 | 9 | 4 | 10 | 0.7 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(N)=O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL250848 | 93950 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 409 | 9 | 4 | 10 | 0.7 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(N)=O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| 45271128 | 193259 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 580 | 11 | 4 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL541742 | 193259 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 580 | 11 | 4 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 25125168 | 14749 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 556 | 5 | 4 | 10 | 4.3 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| 25125168 | 14749 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 556 | 5 | 4 | 10 | 4.3 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208098 | 14749 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 556 | 5 | 4 | 10 | 4.3 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL1208098 | 14749 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 556 | 5 | 4 | 10 | 4.3 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL496401 | 14749 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 556 | 5 | 4 | 10 | 4.3 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL496401 | 14749 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 556 | 5 | 4 | 10 | 4.3 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45487813 | 195407 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 542 | 10 | 3 | 9 | 2.6 | CCc1cc2c(N3CCN(C(=O)COc4cccc(OC)c4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL567502 | 195407 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 542 | 10 | 3 | 9 | 2.6 | CCc1cc2c(N3CCN(C(=O)COc4cccc(OC)c4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 44128982 | 81906 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 709 | 16 | 4 | 10 | 2.0 | CCCCOC(=O)N1CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C1 | 10.1021/jm300771j | ||
| CHEMBL2172142 | 81906 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 709 | 16 | 4 | 10 | 2.0 | CCCCOC(=O)N1CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C1 | 10.1021/jm300771j | ||
| 45140353 | 198656 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 530 | 9 | 2 | 6 | 3.2 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 | 10.1021/jm901518t | ||
| CHEMBL597563 | 198656 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 530 | 9 | 2 | 6 | 3.2 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 | 10.1021/jm901518t | ||
| 87791 | 14756 | 9 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 489 | 4 | 5 | 9 | 1.9 | Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1 | 10.1021/jm9003297 | ||
| CHEMBL1208117 | 14756 | 9 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 489 | 4 | 5 | 9 | 1.9 | Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1 | 10.1021/jm9003297 | ||
| CHEMBL498229 | 14756 | 9 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 489 | 4 | 5 | 9 | 1.9 | Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1 | 10.1021/jm9003297 | ||
| 45485900 | 195840 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 595 | 12 | 3 | 9 | 2.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570093 | 195840 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 595 | 12 | 3 | 9 | 2.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485949 | 195870 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570256 | 195870 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485953 | 195888 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 637 | 13 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570385 | 195888 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 637 | 13 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(N)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45140551 | 197950 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 583 | 11 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592825 | 197950 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 583 | 11 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232951 | 197542 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(C(=O)NCC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589901 | 197542 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(C(=O)NCC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232945 | 199214 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 595 | 13 | 2 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(OC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601486 | 199214 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 595 | 13 | 2 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(OC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485936 | 195378 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 691 | 15 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567280 | 195378 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 691 | 15 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485910 | 195845 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 706 | 14 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570151 | 195845 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 706 | 14 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45141579 | 197581 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 597 | 15 | 2 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590140 | 197581 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 597 | 15 | 2 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140938 | 197716 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 609 | 14 | 2 | 7 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591048 | 197716 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 609 | 14 | 2 | 7 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140748 | 197959 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 667 | 13 | 2 | 9 | 3.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCC(OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592884 | 197959 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 667 | 13 | 2 | 9 | 3.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCC(OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 44631974 | 199282 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 676 | 12 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601906 | 199282 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 676 | 12 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485859 | 195784 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 624 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569764 | 195784 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 624 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485929 | 195847 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 651 | 15 | 3 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570153 | 195847 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 651 | 15 | 3 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNCC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485911 | 195831 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570028 | 195831 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46233229 | 196758 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 707 | 12 | 2 | 9 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL577236 | 196758 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 707 | 12 | 2 | 9 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140932 | 197921 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C3CCOC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592678 | 197921 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C3CCOC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233329 | 196984 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 639 | 14 | 2 | 9 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL579330 | 196984 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 639 | 14 | 2 | 9 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141981 | 197501 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 623 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CO)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589554 | 197501 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 623 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CO)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139771 | 199448 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 581 | 12 | 2 | 7 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603147 | 199448 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 581 | 12 | 2 | 7 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140928 | 199648 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 569 | 14 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL604288 | 199648 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 569 | 14 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485888 | 195286 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 582 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566520 | 195286 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 582 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(O)C3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485956 | 195889 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 665 | 13 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570386 | 195889 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 665 | 13 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45141986 | 196661 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 623 | 13 | 2 | 8 | 3.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL576331 | 196661 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 623 | 13 | 2 | 8 | 3.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141134 | 196838 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 609 | 12 | 2 | 8 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL577844 | 196838 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 609 | 12 | 2 | 8 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139769 | 197907 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCC3CCCNC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592577 | 197907 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCC3CCCNC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232944 | 197587 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 581 | 12 | 3 | 8 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590194 | 197587 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 581 | 12 | 3 | 8 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 9823796 | 153503 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 3 | 9 | 2.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3CC[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL398434 | 153503 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 3 | 9 | 2.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3CC[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| 45485908 | 195835 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 680 | 14 | 2 | 10 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570045 | 195835 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 680 | 14 | 2 | 10 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45142445 | 197671 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 676 | 14 | 2 | 8 | 4.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590744 | 197671 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 676 | 14 | 2 | 8 | 4.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139772 | 197673 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 595 | 13 | 2 | 7 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)CC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590746 | 197673 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 595 | 13 | 2 | 7 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)CC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142223 | 199092 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 681 | 15 | 2 | 9 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600573 | 199092 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 681 | 15 | 2 | 9 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140365 | 199451 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 639 | 16 | 2 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)CCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603150 | 199451 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 639 | 16 | 2 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)CCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232893 | 197557 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 650 | 12 | 2 | 8 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590004 | 197557 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 650 | 12 | 2 | 8 | 3.1 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232941 | 199212 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 678 | 15 | 2 | 8 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](C(=O)N(CC)CC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601484 | 199212 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 678 | 15 | 2 | 8 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](C(=O)N(CC)CC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485896 | 195104 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 609 | 12 | 2 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565470 | 195104 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 609 | 12 | 2 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485933 | 195848 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570154 | 195848 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46233233 | 196863 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 666 | 13 | 3 | 8 | 5.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)NC(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578080 | 196863 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 666 | 13 | 3 | 8 | 5.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)NC(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141128 | 197627 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(NC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590418 | 197627 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(NC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485935 | 195374 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 665 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567271 | 195374 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 665 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485855 | 195797 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 654 | 16 | 2 | 10 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCN3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569884 | 195797 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 654 | 16 | 2 | 10 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCN3CCOCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46233327 | 196949 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 12 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578899 | 196949 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 653 | 12 | 2 | 9 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140558 | 197701 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 596 | 16 | 3 | 7 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590990 | 197701 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 596 | 16 | 3 | 7 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140165 | 199453 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 621 | 12 | 2 | 7 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603152 | 199453 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 621 | 12 | 2 | 7 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232883 | 197531 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589824 | 197531 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232900 | 199283 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 690 | 13 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601907 | 199283 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 690 | 13 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232917 | 199314 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 679 | 14 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL602111 | 199314 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 679 | 14 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485918 | 195299 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 679 | 13 | 2 | 10 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566599 | 195299 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 679 | 13 | 2 | 10 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485906 | 195818 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 666 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569988 | 195818 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 666 | 12 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 66855197 | 81952 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172273 | 81952 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45269472 | 194665 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 13 | 3 | 8 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL562405 | 194665 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 13 | 3 | 8 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141582 | 196897 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 667 | 13 | 2 | 9 | 3.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578335 | 196897 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 667 | 13 | 2 | 9 | 3.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140160 | 198869 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 540 | 12 | 3 | 7 | 3.3 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599005 | 198869 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 540 | 12 | 3 | 7 | 3.3 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 66856952 | 81899 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 681 | 14 | 3 | 10 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCCCO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172134 | 81899 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 681 | 14 | 3 | 10 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCCCO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45487850 | 195321 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 1 | 7 | 4.6 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCCC(C(N)=O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566874 | 195321 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 1 | 7 | 4.6 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCCC(C(N)=O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45272846 | 193981 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 540 | 12 | 3 | 8 | 1.6 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556446 | 193981 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 540 | 12 | 3 | 8 | 1.6 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 66856999 | 81901 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 665 | 12 | 2 | 9 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172136 | 81901 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 665 | 12 | 2 | 9 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45272902 | 194042 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 468 | 9 | 2 | 7 | 1.7 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL557062 | 194042 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 468 | 9 | 2 | 7 | 1.7 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 24830601 | 198970 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 468 | 8 | 2 | 6 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599605 | 198970 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 468 | 8 | 2 | 6 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 44610760 | 195634 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 583 | 7 | 2 | 8 | 3.2 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3[C@H](C(N)=O)CC[C@@H]3C(N)=O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568774 | 195634 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 583 | 7 | 2 | 8 | 3.2 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3[C@H](C(N)=O)CC[C@@H]3C(N)=O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45269472 | 194665 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 13 | 3 | 8 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL562405 | 194665 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 13 | 3 | 8 | 2.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 25128138 | 14763 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 529 | 6 | 5 | 8 | 4.5 | Nc1c(C(=O)O)cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208159 | 14763 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 529 | 6 | 5 | 8 | 4.5 | Nc1c(C(=O)O)cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL502519 | 14763 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 529 | 6 | 5 | 8 | 4.5 | Nc1c(C(=O)O)cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 46232936 | 199180 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(N3CCC(CO)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601276 | 199180 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(N3CCC(CO)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 39073052 | 195306 | 2 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 332 | 4 | 0 | 5 | 2.9 | CCc1cc2c(N3CCN(C(=O)CC(C)C)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566661 | 195306 | 2 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 332 | 4 | 0 | 5 | 2.9 | CCc1cc2c(N3CCN(C(=O)CC(C)C)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 67204 | 14774 | 13 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 489 | 4 | 5 | 9 | 1.9 | Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1S(=O)(=O)O | 10.1021/jm9003297 | ||
| CHEMBL1208280 | 14774 | 13 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 489 | 4 | 5 | 9 | 1.9 | Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1S(=O)(=O)O | 10.1021/jm9003297 | ||
| CHEMBL521709 | 14774 | 13 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 489 | 4 | 5 | 9 | 1.9 | Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1S(=O)(=O)O | 10.1021/jm9003297 | ||
| 45487790 | 197304 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 526 | 10 | 3 | 8 | 3.0 | CCc1cc2c(N3CCN(C(=O)CCOc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585306 | 197304 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 526 | 10 | 3 | 8 | 3.0 | CCc1cc2c(N3CCN(C(=O)CCOc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45270294 | 193658 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 541 | 12 | 3 | 8 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCN)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551619 | 193658 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 541 | 12 | 3 | 8 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCN)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44129522 | 81924 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 681 | 12 | 2 | 10 | 1.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N3CCCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172160 | 81924 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 681 | 12 | 2 | 10 | 1.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N3CCCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45485881 | 195803 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 625 | 13 | 2 | 8 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SCC(F)(F)F)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569911 | 195803 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 625 | 13 | 2 | 8 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SCC(F)(F)F)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485901 | 195843 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 595 | 12 | 3 | 9 | 2.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCNCC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570149 | 195843 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 595 | 12 | 3 | 9 | 2.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCNCC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 66855285 | 81928 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 723 | 16 | 4 | 10 | 2.4 | CCCCOC(=O)NC1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172165 | 81928 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 723 | 16 | 4 | 10 | 2.4 | CCCCOC(=O)NC1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45141772 | 197446 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 636 | 13 | 2 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589198 | 197446 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 636 | 13 | 2 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141982 | 197672 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 665 | 16 | 2 | 8 | 4.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COCCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590745 | 197672 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 665 | 16 | 2 | 8 | 4.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COCCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140936 | 197740 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 623 | 17 | 2 | 7 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCN(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591226 | 197740 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 623 | 17 | 2 | 7 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCN(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232915 | 197546 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 636 | 12 | 2 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589930 | 197546 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 636 | 12 | 2 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232925 | 197593 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(COC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590256 | 197593 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(COC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45487789 | 195481 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 496 | 8 | 3 | 7 | 2.7 | CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL567913 | 195481 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 496 | 8 | 3 | 7 | 2.7 | CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 16066663 | 77789 | 32 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 523 | 5 | 4 | 8 | 3.1 | CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL2103828 | 77789 | 32 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 523 | 5 | 4 | 8 | 3.1 | CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F | 10.1016/j.bmcl.2022.128837 | ||
| 45269461 | 194520 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 539 | 11 | 2 | 7 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL561406 | 194520 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 539 | 11 | 2 | 7 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 16066663 | 77789 | 32 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 523 | 5 | 4 | 8 | 3.1 | CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F | 10.1021/jm300771j | ||
| CHEMBL2103828 | 77789 | 32 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 523 | 5 | 4 | 8 | 3.1 | CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F | 10.1021/jm300771j | ||
| 44128901 | 81892 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 730 | 14 | 3 | 11 | 0.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCNS(C)(=O)=O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172127 | 81892 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 730 | 14 | 3 | 11 | 0.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCNS(C)(=O)=O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 44129058 | 81897 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 653 | 12 | 3 | 10 | 0.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172132 | 81897 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 653 | 12 | 3 | 10 | 0.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45487789 | 195481 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 496 | 8 | 3 | 7 | 2.7 | CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL567913 | 195481 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 496 | 8 | 3 | 7 | 2.7 | CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 66854417 | 81922 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 681 | 13 | 3 | 10 | 1.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC(C(=O)NC4CCC4)C3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172158 | 81922 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 681 | 13 | 3 | 10 | 1.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC(C(=O)NC4CCC4)C3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 6689 | 14745 | 14 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 489 | 4 | 5 | 9 | 1.9 | Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)O | 10.1021/jm9003297 | ||
| CHEMBL1208089 | 14745 | 14 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 489 | 4 | 5 | 9 | 1.9 | Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)O | 10.1021/jm9003297 | ||
| CHEMBL495834 | 14745 | 14 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 489 | 4 | 5 | 9 | 1.9 | Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)O | 10.1021/jm9003297 | ||
| 45273818 | 193179 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 623 | 13 | 3 | 8 | 3.5 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539732 | 193179 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 623 | 13 | 3 | 8 | 3.5 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 70683418 | 73623 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 650 | 13 | 2 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](C(=O)N(C)C)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL2021587 | 73623 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 650 | 13 | 2 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](C(=O)N(C)C)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 44583582 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/jm9003297 | ||
| 5904 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/jm9003297 | ||
| 59448166 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/jm9003297 | ||
| CHEMBL1207916 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/jm9003297 | ||
| CHEMBL455536 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1021/jm9003297 | ||
| 45487837 | 197331 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 526 | 5 | 1 | 7 | 4.8 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCC(N)CC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585693 | 197331 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 526 | 5 | 1 | 7 | 4.8 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCC(N)CC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 11955421 | 197363 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 513 | 5 | 1 | 7 | 4.5 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCC(O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585948 | 197363 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 513 | 5 | 1 | 7 | 4.5 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCC(O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 66919940 | 81955 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 571 | 11 | 2 | 9 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)C(C)(C)C)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172279 | 81955 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 571 | 11 | 2 | 9 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)C(C)(C)C)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45271978 | 193353 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 7 | 2 | 6 | 1.6 | COC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL549308 | 193353 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 7 | 2 | 6 | 1.6 | COC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45271978 | 193353 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 7 | 2 | 6 | 1.6 | COC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL549308 | 193353 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 7 | 2 | 6 | 1.6 | COC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 167524 | 14498 | 3 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 636 | 6 | 5 | 12 | 3.5 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1205665 | 14498 | 3 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 636 | 6 | 5 | 12 | 3.5 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL131271 | 14498 | 3 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 636 | 6 | 5 | 12 | 3.5 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 66919996 | 81957 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 555 | 12 | 2 | 9 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)C3CC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172280 | 81957 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 555 | 12 | 2 | 9 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)C3CC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 44583582 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1016/j.bmcl.2022.128837 | ||
| 5904 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1016/j.bmcl.2022.128837 | ||
| 59448166 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL1207916 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL455536 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 10.1016/j.bmcl.2022.128837 | ||
| 20299057 | 59942 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 3 | 4 | 7 | 2.9 | Cc1c(N)cccc1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL1672103 | 59942 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 3 | 4 | 7 | 2.9 | Cc1c(N)cccc1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL1741093 | 59942 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 3 | 4 | 7 | 2.9 | Cc1c(N)cccc1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O | 10.1016/j.ejmech.2021.113924 | ||
| 46233230 | 197820 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 653 | 14 | 2 | 9 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)COC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591874 | 197820 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 653 | 14 | 2 | 9 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)COC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232886 | 199245 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 664 | 14 | 3 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601694 | 199245 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 664 | 14 | 3 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 25114519 | 14777 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 438 | 4 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208288 | 14777 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 438 | 4 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL524064 | 14777 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 438 | 4 | 4 | 7 | 2.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45268619 | 193834 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 573 | 11 | 3 | 7 | 3.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL553572 | 193834 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 573 | 11 | 3 | 7 | 3.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 70687668 | 73622 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 650 | 13 | 2 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](C(=O)N(C)C)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL2021586 | 73622 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 650 | 13 | 2 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](C(=O)N(C)C)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232932 | 199179 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 692 | 15 | 2 | 8 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(C(=O)N(CC)CC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601275 | 199179 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 692 | 15 | 2 | 8 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(C(=O)N(CC)CC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485853 | 195677 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 626 | 17 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569053 | 195677 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 626 | 17 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45270323 | 193577 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 566 | 9 | 3 | 8 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551020 | 193577 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 566 | 9 | 3 | 8 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45271092 | 194770 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 9 | 2 | 6 | 2.4 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL563041 | 194770 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 9 | 2 | 6 | 2.4 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45487817 | 195601 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 5 | 1 | 7 | 4.1 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CC(O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568566 | 195601 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 5 | 1 | 7 | 4.1 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CC(O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 44129524 | 81953 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 695 | 13 | 2 | 10 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N(C)C3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172274 | 81953 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 695 | 13 | 2 | 10 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N(C)C3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45271092 | 194770 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 9 | 2 | 6 | 2.4 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL563041 | 194770 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 9 | 2 | 6 | 2.4 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45269465 | 194580 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 554 | 12 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL561810 | 194580 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 554 | 12 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 66919958 | 81959 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 530 | 11 | 3 | 9 | 0.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(N)=O)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172282 | 81959 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 530 | 11 | 3 | 9 | 0.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(N)=O)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 46233130 | 198840 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 537 | 9 | 2 | 6 | 3.2 | CCCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598821 | 198840 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 537 | 9 | 2 | 6 | 3.2 | CCCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45268594 | 193890 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 574 | 11 | 2 | 7 | 3.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL554782 | 193890 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 574 | 11 | 2 | 7 | 3.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCc3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 46233324 | 197957 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 574 | 11 | 2 | 7 | 3.6 | CCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| CHEMBL592882 | 197957 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 574 | 11 | 2 | 7 | 3.6 | CCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| 45139949 | 198762 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 2.8 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC2CCC2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598376 | 198762 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 2.8 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC2CCC2)CC1 | 10.1021/jm901518t | ||
| 45139765 | 198838 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 482 | 8 | 2 | 6 | 2.4 | CC(C)OC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598816 | 198838 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 482 | 8 | 2 | 6 | 2.4 | CC(C)OC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 44128387 | 81943 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 627 | 12 | 3 | 10 | -0.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(N)=O)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172264 | 81943 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 627 | 12 | 3 | 10 | -0.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(N)=O)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 46233096 | 199932 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 8 | 2 | 6 | 2.8 | CCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL605847 | 199932 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 8 | 2 | 6 | 2.8 | CCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485903 | 195841 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 2.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(C)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570108 | 195841 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 2.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(C)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45271984 | 193418 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 496 | 10 | 2 | 6 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL549724 | 193418 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 496 | 10 | 2 | 6 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 10202847 | 197346 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 0 | 5 | 4.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585852 | 197346 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 4 | 0 | 5 | 4.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45271984 | 193418 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 496 | 10 | 2 | 6 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL549724 | 193418 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 496 | 10 | 2 | 6 | 2.8 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232903 | 197559 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 636 | 14 | 2 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590006 | 197559 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 636 | 14 | 2 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45487843 | 195517 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 434 | 7 | 3 | 7 | 1.9 | CCC(=O)N1CCN(c2nc(NC(=O)NCCC(=O)O)nc3sc(CC)cc23)CC1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568127 | 195517 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 434 | 7 | 3 | 7 | 1.9 | CCC(=O)N1CCN(c2nc(NC(=O)NCCC(=O)O)nc3sc(CC)cc23)CC1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45487817 | 195601 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 5 | 1 | 7 | 4.1 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CC(O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568566 | 195601 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 5 | 1 | 7 | 4.1 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CC(O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 10109037 | 195438 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 358 | 3 | 0 | 5 | 2.9 | CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL567695 | 195438 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 358 | 3 | 0 | 5 | 2.9 | CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45485934 | 195301 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566613 | 195301 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485920 | 196068 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 623 | 13 | 3 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL571584 | 196068 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 623 | 13 | 3 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 11950687 | 195278 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 558 | 8 | 3 | 7 | 4.5 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566438 | 195278 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 558 | 8 | 3 | 7 | 4.5 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 46233228 | 196839 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 694 | 12 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL577854 | 196839 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 694 | 12 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139768 | 197947 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592810 | 197947 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485967 | 195868 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 707 | 16 | 2 | 9 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570238 | 195868 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 707 | 16 | 2 | 9 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CC(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 66855732 | 81912 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 695 | 14 | 3 | 10 | 1.6 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172148 | 81912 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 695 | 14 | 3 | 10 | 1.6 | CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 44443933 | 97834 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 10 | 4 | 11 | 1.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL274713 | 97834 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 10 | 4 | 11 | 1.7 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| 46233237 | 196981 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 651 | 12 | 3 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(=O)N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL579289 | 196981 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 651 | 12 | 3 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC(=O)N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141341 | 197505 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 636 | 13 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589584 | 197505 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 636 | 13 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140366 | 199042 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 651 | 13 | 2 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCC(OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600055 | 199042 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 651 | 13 | 2 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCC(OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141341 | 197505 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 636 | 13 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589584 | 197505 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 636 | 13 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45142219 | 197588 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.5 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590208 | 197588 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.5 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140930 | 197614 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 581 | 11 | 2 | 8 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590364 | 197614 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 581 | 11 | 2 | 8 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140937 | 197741 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 16 | 2 | 7 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591227 | 197741 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 16 | 2 | 7 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232947 | 199215 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 650 | 13 | 2 | 9 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(N4CCOCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601487 | 199215 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 650 | 13 | 2 | 9 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(N4CCOCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485954 | 195877 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 637 | 13 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(N)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570285 | 195877 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 637 | 13 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(N)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44631970 | 193180 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL539733 | 193180 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2022.128837 | ||
| 45272869 | 193811 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL552972 | 193811 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140931 | 197668 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 594 | 11 | 3 | 8 | 2.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590741 | 197668 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 594 | 11 | 3 | 8 | 2.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232935 | 197566 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 708 | 17 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](OCC(=O)N(CC)CC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590069 | 197566 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 708 | 17 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@@H](OCC(=O)N(CC)CC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485960 | 195450 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 693 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N(CC)CC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567772 | 195450 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 693 | 15 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N(CC)CC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485964 | 195891 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 691 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570388 | 195891 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 691 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46233328 | 196963 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 667 | 13 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL579081 | 196963 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 667 | 13 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140557 | 197684 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 582 | 15 | 3 | 7 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590798 | 197684 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 582 | 15 | 3 | 7 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485902 | 195749 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 2.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(C)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569629 | 195749 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 2.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(C)=O)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45140939 | 197733 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 651 | 14 | 2 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591185 | 197733 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 651 | 14 | 2 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139587 | 197905 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 581 | 12 | 3 | 8 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592563 | 197905 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 581 | 12 | 3 | 8 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139950 | 197908 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCC3CCCCN3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592581 | 197908 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCC3CCCCN3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139766 | 197946 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCCNC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592806 | 197946 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCCNC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45272869 | 193811 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL552972 | 193811 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45140556 | 198587 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 568 | 14 | 3 | 7 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL597150 | 198587 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 568 | 14 | 3 | 7 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232830 | 197494 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589520 | 197494 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 636 | 14 | 3 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45142221 | 197460 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 651 | 13 | 2 | 8 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589283 | 197460 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 651 | 13 | 2 | 8 | 3.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 44128980 | 81907 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 715 | 14 | 3 | 10 | 2.2 | COc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cc(OCC(=O)N4CCC[C@H]4C(=O)NC4CCC4)n(-c4ccccc4)n3)CC2)c1 | 10.1021/jm300771j | ||
| CHEMBL2172143 | 81907 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 715 | 14 | 3 | 10 | 2.2 | COc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cc(OCC(=O)N4CCC[C@H]4C(=O)NC4CCC4)n(-c4ccccc4)n3)CC2)c1 | 10.1021/jm300771j | ||
| 44129445 | 81945 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 655 | 13 | 3 | 10 | 0.6 | CCNC(=O)[C@@H]1CCCN1C(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nn1-c1ccccc1 | 10.1021/jm300771j | ||
| CHEMBL2172266 | 81945 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 655 | 13 | 3 | 10 | 0.6 | CCNC(=O)[C@@H]1CCCN1C(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nn1-c1ccccc1 | 10.1021/jm300771j | ||
| 45485860 | 195785 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 624 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569771 | 195785 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 624 | 14 | 3 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44610759 | 195561 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 6 | 2 | 8 | 3.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3C[C@@H](O)C[C@H]3C(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568334 | 195561 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 6 | 2 | 8 | 3.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3C[C@@H](O)C[C@H]3C(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45487850 | 195321 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 554 | 6 | 1 | 7 | 4.6 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCCC(C(N)=O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566874 | 195321 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 554 | 6 | 1 | 7 | 4.6 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCCC(C(N)=O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45268630 | 194414 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 570 | 14 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL560748 | 194414 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 570 | 14 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139401 | 199000 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 512 | 10 | 3 | 7 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599825 | 199000 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 512 | 10 | 3 | 7 | 2.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232937 | 197596 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 623 | 14 | 2 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(N3CCC(COC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590259 | 197596 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 623 | 14 | 2 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(N3CCC(COC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232924 | 199174 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 623 | 13 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(OC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601270 | 199174 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 623 | 13 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(OC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46233589 | 198590 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 522 | 9 | 1 | 6 | 3.4 | CCCC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL597158 | 198590 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 522 | 9 | 1 | 6 | 3.4 | CCCC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 11649278 | 14746 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 4 | 4 | 8 | 2.3 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208091 | 14746 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 4 | 4 | 8 | 2.3 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL496022 | 14746 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 4 | 4 | 8 | 2.3 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45268630 | 194414 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 570 | 14 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL560748 | 194414 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 570 | 14 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 121990 | 75 | 12 | None | 10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 10.1016/j.bmcl.2022.128837 | ||
| 1710 | 75 | 12 | None | 10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 10.1016/j.bmcl.2022.128837 | ||
| 1763 | 75 | 12 | None | 10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL435402 | 75 | 12 | None | 10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 10.1016/j.bmcl.2022.128837 | ||
| 45487837 | 197331 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 5 | 1 | 7 | 4.8 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCC(N)CC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585693 | 197331 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 5 | 1 | 7 | 4.8 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCC(N)CC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45270288 | 193602 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 527 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551217 | 193602 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 527 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45270288 | 193602 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 527 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL551217 | 193602 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 527 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45272881 | 193192 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 651 | 15 | 2 | 8 | 4.4 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539983 | 193192 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 651 | 15 | 2 | 8 | 4.4 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44129449 | 81927 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 660 | 12 | 2 | 9 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3c3ccccc3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172163 | 81927 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 660 | 12 | 2 | 9 | 2.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3c3ccccc3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45272881 | 193192 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 651 | 15 | 2 | 8 | 4.4 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL539983 | 193192 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 651 | 15 | 2 | 8 | 4.4 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140156 | 198942 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 510 | 10 | 2 | 6 | 3.0 | CC(C)CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599400 | 198942 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 510 | 10 | 2 | 6 | 3.0 | CC(C)CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45272055 | 193224 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 620 | 10 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL540737 | 193224 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 620 | 10 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45272055 | 193224 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 620 | 10 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL540737 | 193224 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 620 | 10 | 2 | 8 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485895 | 195589 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 651 | 14 | 3 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568498 | 195589 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 651 | 14 | 3 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45270296 | 193659 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 497 | 9 | 3 | 7 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551620 | 193659 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 497 | 9 | 3 | 7 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 11955421 | 197363 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 513 | 5 | 1 | 7 | 4.5 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCC(O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585948 | 197363 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 513 | 5 | 1 | 7 | 4.5 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCC(O)C3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45270296 | 193659 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 497 | 9 | 3 | 7 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL551620 | 193659 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 497 | 9 | 3 | 7 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45273812 | 194083 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 568 | 14 | 2 | 7 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL557535 | 194083 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 568 | 14 | 2 | 7 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45271082 | 193808 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 9 | 2 | 8 | 1.1 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2ccnc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL552921 | 193808 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 469 | 9 | 2 | 8 | 1.1 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2ccnc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 46233355 | 198865 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 545 | 9 | 2 | 7 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598998 | 198865 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 545 | 9 | 2 | 7 | 3.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45271145 | 193260 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 659 | 16 | 2 | 9 | 3.1 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL541745 | 193260 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 659 | 16 | 2 | 9 | 3.1 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45273812 | 194083 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 568 | 14 | 2 | 7 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL557535 | 194083 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 568 | 14 | 2 | 7 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45487800 | 197302 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 448 | 7 | 3 | 7 | 2.2 | CCc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585298 | 197302 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 448 | 7 | 3 | 7 | 2.2 | CCc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45272074 | 193673 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 467 | 9 | 2 | 6 | 2.3 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL551750 | 193673 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 467 | 9 | 2 | 6 | 2.3 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 46233323 | 199958 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 467 | 8 | 2 | 5 | 2.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)c2)CC1 | 10.1021/jm901518t | ||
| CHEMBL605964 | 199958 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 467 | 8 | 2 | 5 | 2.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)c2)CC1 | 10.1021/jm901518t | ||
| 6451084 | 54677 | 44 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 718 | 12 | 9 | 14 | 3.3 | O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL1615434 | 54677 | 44 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 718 | 12 | 9 | 14 | 3.3 | O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O | 10.1016/j.ejmech.2021.113924 | ||
| 45487843 | 195517 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 434 | 7 | 3 | 7 | 1.9 | CCC(=O)N1CCN(c2nc(NC(=O)NCCC(=O)O)nc3sc(CC)cc23)CC1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568127 | 195517 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 434 | 7 | 3 | 7 | 1.9 | CCC(=O)N1CCN(c2nc(NC(=O)NCCC(=O)O)nc3sc(CC)cc23)CC1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45487841 | 195128 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 7 | 2 | 7 | 4.3 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL565618 | 195128 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 7 | 2 | 7 | 4.3 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45487809 | 195277 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cn4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566437 | 195277 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cn4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 44125995 | 81954 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 559 | 12 | 2 | 10 | 1.1 | CCOC(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nn1-c1ccccc1 | 10.1021/jm300771j | ||
| CHEMBL2172278 | 81954 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 559 | 12 | 2 | 10 | 1.1 | CCOC(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nn1-c1ccccc1 | 10.1021/jm300771j | ||
| 45267776 | 194559 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 543 | 10 | 2 | 6 | 4.0 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL561692 | 194559 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 543 | 10 | 2 | 6 | 4.0 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 46233322 | 198971 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 543 | 9 | 2 | 5 | 4.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599606 | 198971 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 543 | 9 | 2 | 5 | 4.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CC1 | 10.1021/jm901518t | ||
| 25124828 | 14762 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 600 | 6 | 5 | 11 | 4.0 | Nc1c(S(=O)(=O)O)cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| 25124828 | 14762 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 600 | 6 | 5 | 11 | 4.0 | Nc1c(S(=O)(=O)O)cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208131 | 14762 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 600 | 6 | 5 | 11 | 4.0 | Nc1c(S(=O)(=O)O)cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL1208131 | 14762 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 600 | 6 | 5 | 11 | 4.0 | Nc1c(S(=O)(=O)O)cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL499580 | 14762 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 600 | 6 | 5 | 11 | 4.0 | Nc1c(S(=O)(=O)O)cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL499580 | 14762 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 600 | 6 | 5 | 11 | 4.0 | Nc1c(S(=O)(=O)O)cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45485891 | 195315 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 611 | 16 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566753 | 195315 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 611 | 16 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45487844 | 197364 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 420 | 6 | 3 | 7 | 1.5 | CCc1cc2c(N3CCN(C(C)=O)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585950 | 197364 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 420 | 6 | 3 | 7 | 1.5 | CCc1cc2c(N3CCN(C(C)=O)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45270314 | 193475 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 540 | 12 | 2 | 7 | 3.2 | CCCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL550206 | 193475 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 540 | 12 | 2 | 7 | 3.2 | CCCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45140746 | 200025 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 9 | 2 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL606408 | 200025 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 9 | 2 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 11955422 | 195206 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 5 | 1 | 7 | 4.3 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCNCC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566037 | 195206 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 5 | 1 | 7 | 4.3 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCNCC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 44610760 | 195634 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 7 | 2 | 8 | 3.2 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3[C@H](C(N)=O)CC[C@@H]3C(N)=O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568774 | 195634 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 7 | 2 | 8 | 3.2 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3[C@H](C(N)=O)CC[C@@H]3C(N)=O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45141131 | 197492 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589518 | 197492 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140929 | 199252 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 14 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL601704 | 199252 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 14 | 2 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141131 | 197492 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589518 | 197492 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CNC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232897 | 197537 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 692 | 15 | 2 | 8 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589889 | 197537 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 692 | 15 | 2 | 8 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232881 | 197548 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 678 | 16 | 2 | 8 | 4.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589971 | 197548 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 678 | 16 | 2 | 8 | 4.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485892 | 195359 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 14 | 4 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCC3CCNC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567189 | 195359 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 14 | 4 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCC3CCNC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46233232 | 196907 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 666 | 14 | 2 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)CN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578482 | 196907 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 666 | 14 | 2 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)CN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485937 | 195571 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 691 | 15 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568384 | 195571 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 691 | 15 | 2 | 9 | 4.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCN4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45139588 | 197945 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592802 | 197945 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 13 | 3 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485947 | 195869 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 682 | 17 | 2 | 10 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COCCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570242 | 195869 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 682 | 17 | 2 | 10 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COCCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46232891 | 199248 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 664 | 13 | 3 | 8 | 3.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NC(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601697 | 199248 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 664 | 13 | 3 | 8 | 3.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NC(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45140166 | 197675 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 623 | 12 | 2 | 8 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590748 | 197675 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 623 | 12 | 2 | 8 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485880 | 195896 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 587 | 14 | 3 | 9 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SCCO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570423 | 195896 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 587 | 14 | 3 | 9 | 2.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SCCO)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45141987 | 197458 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 651 | 14 | 2 | 8 | 4.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589281 | 197458 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 651 | 14 | 2 | 8 | 4.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140364 | 197906 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 637 | 15 | 3 | 8 | 4.0 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592570 | 197906 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 637 | 15 | 3 | 8 | 4.0 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140159 | 197955 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592880 | 197955 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139406 | 199070 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 719 | 14 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)C(F)(F)F)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600371 | 199070 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 719 | 14 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)C(F)(F)F)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232907 | 197560 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590007 | 197560 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 637 | 14 | 3 | 9 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45139958 | 197674 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 637 | 13 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590747 | 197674 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 637 | 13 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233235 | 197851 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 709 | 14 | 3 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)NCC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592166 | 197851 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 709 | 14 | 3 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)NCC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485890 | 195807 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 611 | 16 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCCN(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569915 | 195807 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 611 | 16 | 3 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCCN(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45140935 | 197854 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 639 | 12 | 2 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592195 | 197854 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 639 | 12 | 2 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232898 | 199280 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 706 | 16 | 2 | 8 | 4.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601904 | 199280 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 706 | 16 | 2 | 8 | 4.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46233326 | 196892 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCC(OC)C3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578271 | 196892 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 653 | 13 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCC(OC)C3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233223 | 197848 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 584 | 15 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592163 | 197848 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 584 | 15 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232912 | 199286 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 679 | 14 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601910 | 199286 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 679 | 14 | 2 | 9 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45272054 | 193223 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 635 | 11 | 3 | 8 | 3.5 | O=C(O)CC[C@H](NC(=O)c1cc(N2CCC(O)CC2)cc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCC2CCCC2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL540736 | 193223 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 635 | 11 | 3 | 8 | 3.5 | O=C(O)CC[C@H](NC(=O)c1cc(N2CCC(O)CC2)cc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCC2CCCC2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44128981 | 81908 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 712 | 14 | 3 | 9 | 3.0 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172144 | 81908 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 712 | 14 | 3 | 9 | 3.0 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 | 10.1021/jm300771j | ||
| 44129448 | 81948 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 683 | 12 | 3 | 10 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC(C)(C)C)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172269 | 81948 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 683 | 12 | 3 | 10 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC(C)(C)C)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 11955422 | 195206 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 5 | 1 | 7 | 4.3 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCNCC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL566037 | 195206 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 5 | 1 | 7 | 4.3 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCNCC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45485865 | 195688 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 599 | 12 | 2 | 8 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SC(C)(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569127 | 195688 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 599 | 12 | 2 | 8 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SC(C)(C)C)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 24829780 | 194791 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 567 | 9 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL563183 | 194791 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 567 | 9 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44128900 | 81896 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 694 | 13 | 3 | 10 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCNC(C)=O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172131 | 81896 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 694 | 13 | 3 | 10 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCNC(C)=O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 44128468 | 81921 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 667 | 13 | 3 | 10 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172157 | 81921 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 667 | 13 | 3 | 10 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 24829780 | 194791 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 567 | 9 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL563183 | 194791 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 567 | 9 | 3 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233175 | 198533 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 9 | 2 | 6 | 3.4 | CCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL596769 | 198533 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 553 | 9 | 2 | 6 | 3.4 | CCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140157 | 198796 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 9 | 2 | 6 | 3.4 | CC(C)(C)CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598588 | 198796 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 9 | 2 | 6 | 3.4 | CC(C)(C)CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45271100 | 194999 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL564552 | 194999 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45271100 | 194999 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL564552 | 194999 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 3.6 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233239 | 197879 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 736 | 14 | 2 | 9 | 5.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592408 | 197879 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 736 | 14 | 2 | 9 | 5.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139948 | 198761 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 522 | 8 | 2 | 6 | 3.3 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OC2CCCCC2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598375 | 198761 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 522 | 8 | 2 | 6 | 3.3 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OC2CCCCC2)CC1 | 10.1021/jm901518t | ||
| 1149185 | 195516 | 9 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 0 | 5 | 3.2 | CCc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568126 | 195516 | 9 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 352 | 3 | 0 | 5 | 3.2 | CCc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45487842 | 197306 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 501 | 8 | 2 | 7 | 4.7 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCCO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585317 | 197306 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 501 | 8 | 2 | 7 | 4.7 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCCO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45487813 | 195407 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 542 | 10 | 3 | 9 | 2.6 | CCc1cc2c(N3CCN(C(=O)COc4cccc(OC)c4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL567502 | 195407 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 542 | 10 | 3 | 9 | 2.6 | CCc1cc2c(N3CCN(C(=O)COc4cccc(OC)c4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45140750 | 197826 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 681 | 14 | 2 | 9 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)CC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591945 | 197826 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 681 | 14 | 2 | 9 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)CC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140743 | 198764 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 511 | 9 | 2 | 7 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598386 | 198764 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 511 | 9 | 2 | 7 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140744 | 198798 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 567 | 13 | 2 | 7 | 3.6 | CCCN(CCC)c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| CHEMBL598594 | 198798 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 567 | 13 | 2 | 7 | 3.6 | CCCN(CCC)c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| 45272842 | 193951 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 567 | 10 | 3 | 8 | 2.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556239 | 193951 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 567 | 10 | 3 | 8 | 2.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44129525 | 81960 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 600 | 11 | 3 | 10 | 0.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CC[C@@H](O)C3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172284 | 81960 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 600 | 11 | 3 | 10 | 0.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CC[C@@H](O)C3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45487800 | 197302 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 448 | 7 | 3 | 7 | 2.2 | CCc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585298 | 197302 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 448 | 7 | 3 | 7 | 2.2 | CCc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45140154 | 198906 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 522 | 9 | 2 | 6 | 3.2 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC2CCCC2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599197 | 198906 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 522 | 9 | 2 | 6 | 3.2 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC2CCCC2)CC1 | 10.1021/jm901518t | ||
| 45487844 | 197364 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 6 | 3 | 7 | 1.5 | CCc1cc2c(N3CCN(C(C)=O)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585950 | 197364 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 6 | 3 | 7 | 1.5 | CCc1cc2c(N3CCN(C(C)=O)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45270322 | 193114 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 623 | 12 | 2 | 9 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL538415 | 193114 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 623 | 12 | 2 | 9 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45139947 | 198760 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 508 | 8 | 2 | 6 | 2.9 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OC2CCCC2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598374 | 198760 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 508 | 8 | 2 | 6 | 2.9 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OC2CCCC2)CC1 | 10.1021/jm901518t | ||
| 45269483 | 193125 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 603 | 12 | 2 | 9 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL538645 | 193125 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 603 | 12 | 2 | 9 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 66855932 | 81919 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 716 | 13 | 3 | 11 | -0.1 | CCOC(=O)N1CCN(C(=O)[C@H](CNS(C)(=O)=O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172155 | 81919 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 716 | 13 | 3 | 11 | -0.1 | CCOC(=O)N1CCN(C(=O)[C@H](CNS(C)(=O)=O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45270266 | 193402 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 544 | 10 | 2 | 7 | 3.4 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)nc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL549594 | 193402 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 544 | 10 | 2 | 7 | 3.4 | CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)nc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 46233354 | 198996 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 544 | 9 | 2 | 6 | 3.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)nc(-c3ccccc3)c2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599816 | 198996 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 544 | 9 | 2 | 6 | 3.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)nc(-c3ccccc3)c2)CC1 | 10.1021/jm901518t | ||
| 45267750 | 194253 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 15 | 2 | 7 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL559340 | 194253 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 15 | 2 | 7 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267750 | 194253 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 15 | 2 | 7 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL559340 | 194253 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 582 | 15 | 2 | 7 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140158 | 199959 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 498 | 10 | 2 | 7 | 1.6 | COCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL605968 | 199959 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 498 | 10 | 2 | 7 | 1.6 | COCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485939 | 195474 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 624 | 13 | 2 | 9 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567883 | 195474 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 624 | 13 | 2 | 9 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 44610759 | 195561 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 557 | 6 | 2 | 8 | 3.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3C[C@@H](O)C[C@H]3C(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568334 | 195561 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 557 | 6 | 2 | 8 | 3.9 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3C[C@@H](O)C[C@H]3C(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 44129136 | 81893 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 705 | 13 | 3 | 12 | 0.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCc2nnn[nH]2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172128 | 81893 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 705 | 13 | 3 | 12 | 0.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCc2nnn[nH]2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 66855902 | 81914 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 707 | 13 | 3 | 10 | 1.7 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OC2CCC2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172150 | 81914 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 707 | 13 | 3 | 10 | 1.7 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OC2CCC2)CC1 | 10.1021/jm300771j | ||
| 45141129 | 197661 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 622 | 12 | 2 | 8 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590673 | 197661 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 622 | 12 | 2 | 8 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141584 | 197960 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 623 | 13 | 2 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592885 | 197960 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 623 | 13 | 2 | 8 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232934 | 197574 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 680 | 15 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](OCC(=O)N(C)C)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590114 | 197574 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 680 | 15 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](OCC(=O)N(C)C)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 44443938 | 93741 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 510 | 8 | 4 | 10 | 2.5 | OC[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccccc4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL249584 | 93741 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 510 | 8 | 4 | 10 | 2.5 | OC[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccccc4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| 9850430 | 93771 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 546 | 8 | 4 | 10 | 2.8 | OC[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL249789 | 93771 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 546 | 8 | 4 | 10 | 2.8 | OC[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| 9846875 | 93908 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 456 | 8 | 4 | 10 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL250687 | 93908 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 456 | 8 | 4 | 10 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL535189 | 93908 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 456 | 8 | 4 | 10 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| 18717762 | 93949 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 9 | 4 | 10 | 1.3 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL250847 | 93949 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 9 | 4 | 10 | 1.3 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| 45141985 | 196985 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 701 | 15 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(S(=O)(=O)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL579334 | 196985 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 701 | 15 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(S(=O)(=O)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485885 | 195544 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 584 | 15 | 3 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL568257 | 195544 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 584 | 15 | 3 | 9 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46232914 | 199311 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 705 | 14 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL602109 | 199311 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 705 | 14 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485941 | 195346 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 668 | 16 | 2 | 10 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567064 | 195346 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 668 | 16 | 2 | 10 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(OCCOC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45142220 | 197411 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 667 | 16 | 2 | 9 | 3.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL588492 | 197411 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 667 | 16 | 2 | 9 | 3.5 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142452 | 197963 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592888 | 197963 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139589 | 199068 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 681 | 17 | 2 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600369 | 199068 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 681 | 17 | 2 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142451 | 199095 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 701 | 15 | 2 | 9 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(S(=O)(=O)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600576 | 199095 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 701 | 15 | 2 | 9 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(S(=O)(=O)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140367 | 199043 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCC(N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600056 | 199043 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 664 | 13 | 2 | 8 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCC(N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142453 | 197459 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 665 | 15 | 2 | 8 | 4.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589282 | 197459 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 665 | 15 | 2 | 8 | 4.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141580 | 197608 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 593 | 12 | 2 | 7 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590328 | 197608 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 593 | 12 | 2 | 7 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140749 | 197817 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 597 | 12 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591839 | 197817 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 597 | 12 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232946 | 197598 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 13 | 2 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(N(C)C)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590261 | 197598 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 13 | 2 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(N(C)C)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232926 | 199175 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(N)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601271 | 199175 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 12 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(N)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485862 | 195802 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569910 | 195802 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45270274 | 194085 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 2 | 5 | 5.0 | Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL557553 | 194085 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 2 | 5 | 5.0 | Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 66854841 | 81910 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 743 | 14 | 3 | 10 | 2.4 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172146 | 81910 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 743 | 14 | 3 | 10 | 2.4 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 | 10.1021/jm300771j | ||
| 46233231 | 197850 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 652 | 14 | 3 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)CNC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592165 | 197850 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 652 | 14 | 3 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)CNC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141344 | 198677 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 569 | 14 | 4 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL597772 | 198677 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 569 | 14 | 4 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485905 | 195844 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 638 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(N)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570150 | 195844 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 638 | 12 | 3 | 9 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(C(N)=O)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46233236 | 196964 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 692 | 12 | 2 | 8 | 5.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL579094 | 196964 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 692 | 12 | 2 | 8 | 5.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139773 | 197378 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 623 | 15 | 2 | 7 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)CCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL586227 | 197378 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 623 | 15 | 2 | 7 | 4.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)CCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140368 | 199044 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 636 | 12 | 2 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600057 | 199044 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 636 | 12 | 2 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485919 | 195115 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 679 | 13 | 2 | 10 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCOCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565542 | 195115 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 679 | 13 | 2 | 10 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCOCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45139403 | 197899 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 584 | 15 | 2 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592531 | 197899 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 584 | 15 | 2 | 8 | 3.2 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232913 | 199310 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 707 | 16 | 2 | 9 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL602108 | 199310 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 707 | 16 | 2 | 9 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CC(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232919 | 199315 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 665 | 12 | 2 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL602112 | 199315 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 665 | 12 | 2 | 8 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(=O)N(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 11585281 | 14761 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 567 | 6 | 5 | 11 | 2.8 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ncccn3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208129 | 14761 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 567 | 6 | 5 | 11 | 2.8 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ncccn3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL499428 | 14761 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 567 | 6 | 5 | 11 | 2.8 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ncccn3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 25123181 | 14751 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 5 | 4 | 7 | 5.1 | Cc1cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c2c(c1N)C(=O)c1ccccc1C2=O | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL1208106 | 14751 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 5 | 4 | 7 | 5.1 | Cc1cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c2c(c1N)C(=O)c1ccccc1C2=O | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL496820 | 14751 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 5 | 4 | 7 | 5.1 | Cc1cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c2c(c1N)C(=O)c1ccccc1C2=O | 10.1016/j.ejmech.2021.113924 | ||
| 66856658 | 81918 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C[C@H]1C | 10.1021/jm300771j | ||
| CHEMBL2172154 | 81918 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C[C@H]1C | 10.1021/jm300771j | ||
| 44631970 | 193180 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539733 | 193180 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44631970 | 193180 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL539733 | 193180 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 637 | 14 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 71449929 | 81944 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 641 | 12 | 3 | 10 | 0.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172265 | 81944 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 641 | 12 | 3 | 10 | 0.3 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45487801 | 195170 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 512 | 9 | 3 | 8 | 2.6 | CCc1cc2c(N3CCN(C(=O)COc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL565840 | 195170 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 512 | 9 | 3 | 8 | 2.6 | CCc1cc2c(N3CCN(C(=O)COc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 66856790 | 81916 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)[C@@H](C)C1 | 10.1021/jm300771j | ||
| CHEMBL2172152 | 81916 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)[C@@H](C)C1 | 10.1021/jm300771j | ||
| 45140927 | 197500 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 581 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CO)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589550 | 197500 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 581 | 10 | 3 | 8 | 2.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CO)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233133 | 197777 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 579 | 12 | 2 | 6 | 4.4 | CCCCCCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591510 | 197777 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 579 | 12 | 2 | 6 | 4.4 | CCCCCCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 25123181 | 14751 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 5 | 4 | 7 | 5.1 | Cc1cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c2c(c1N)C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208106 | 14751 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 5 | 4 | 7 | 5.1 | Cc1cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c2c(c1N)C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL496820 | 14751 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 5 | 4 | 7 | 5.1 | Cc1cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c2c(c1N)C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45485851 | 195756 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 597 | 13 | 2 | 9 | 2.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCCO3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569681 | 195756 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 597 | 13 | 2 | 9 | 2.7 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCCO3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46233132 | 199475 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 565 | 11 | 2 | 6 | 4.0 | CCCCCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603333 | 199475 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 565 | 11 | 2 | 6 | 4.0 | CCCCCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 66854424 | 81925 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 695 | 12 | 2 | 10 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N3CCCCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172161 | 81925 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 695 | 12 | 2 | 10 | 1.5 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)N3CCCCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 66855084 | 81926 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 664 | 12 | 3 | 10 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3c3nc(C)c[nH]3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172162 | 81926 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 664 | 12 | 3 | 10 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3c3nc(C)c[nH]3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 44129447 | 81947 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 669 | 13 | 3 | 10 | 1.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC(C)C)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172268 | 81947 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 669 | 13 | 3 | 10 | 1.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC(C)C)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 66920261 | 81958 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 569 | 12 | 2 | 9 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)C3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172281 | 81958 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 569 | 12 | 2 | 9 | 1.9 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)C3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45487801 | 195170 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 512 | 9 | 3 | 8 | 2.6 | CCc1cc2c(N3CCN(C(=O)COc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL565840 | 195170 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 512 | 9 | 3 | 8 | 2.6 | CCc1cc2c(N3CCN(C(=O)COc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45141133 | 196896 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 681 | 14 | 2 | 9 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCC(OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578324 | 196896 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 681 | 14 | 2 | 9 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCC(OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233224 | 198973 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 581 | 11 | 2 | 6 | 4.2 | CCCCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599634 | 198973 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 581 | 11 | 2 | 6 | 4.2 | CCCCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232892 | 197532 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 678 | 14 | 3 | 8 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NC(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589828 | 197532 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 678 | 14 | 3 | 8 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NC(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45139957 | 199450 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 625 | 16 | 3 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603149 | 199450 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 625 | 16 | 3 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233225 | 196790 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 623 | 12 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(C)=O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL577433 | 196790 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 623 | 12 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(C)=O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232906 | 197516 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 680 | 17 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCOCCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589697 | 197516 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 680 | 17 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCOCCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232918 | 197562 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 637 | 12 | 3 | 8 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(N)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590009 | 197562 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 637 | 12 | 3 | 8 | 2.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(C(N)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 44631974 | 199282 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 676 | 12 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601906 | 199282 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 676 | 12 | 2 | 8 | 3.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 9846875 | 93908 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 456 | 8 | 4 | 10 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL250687 | 93908 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 456 | 8 | 4 | 10 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL535189 | 93908 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 456 | 8 | 4 | 10 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2007.07.057 | ||
| 66854759 | 81898 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 695 | 15 | 3 | 10 | 1.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCCO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172133 | 81898 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 695 | 15 | 3 | 10 | 1.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCCO)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45141771 | 197670 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(NC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590743 | 197670 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(NC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141984 | 197835 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 681 | 14 | 2 | 9 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592021 | 197835 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 681 | 14 | 2 | 9 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232888 | 197539 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 636 | 13 | 3 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(N)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589897 | 197539 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 636 | 13 | 3 | 8 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(N)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232901 | 197558 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 594 | 12 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590005 | 197558 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 594 | 12 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46232900 | 199283 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 690 | 13 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601907 | 199283 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 690 | 13 | 2 | 8 | 4.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485909 | 195836 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 680 | 14 | 2 | 10 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CC(=O)N(C)C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570053 | 195836 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 680 | 14 | 2 | 10 | 1.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCN(CC(=O)N(C)C)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45139586 | 197935 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 595 | 12 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCCNC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592737 | 197935 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 595 | 12 | 3 | 8 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCCNC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139402 | 198976 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 570 | 14 | 3 | 8 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599637 | 198976 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 570 | 14 | 3 | 8 | 2.6 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45270314 | 193475 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 12 | 2 | 7 | 3.2 | CCCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| CHEMBL550206 | 193475 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 12 | 2 | 7 | 3.2 | CCCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| 66854409 | 81923 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 667 | 13 | 3 | 10 | 0.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CC(C(=O)NC4CCC4)C3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172159 | 81923 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 667 | 13 | 3 | 10 | 0.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CC(C(=O)NC4CCC4)C3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 46233131 | 198871 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 551 | 10 | 2 | 6 | 3.6 | CCCCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599020 | 198871 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 551 | 10 | 2 | 6 | 3.6 | CCCCNC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 25127813 | 14744 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 484 | 5 | 3 | 6 | 4.6 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208083 | 14744 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 484 | 5 | 3 | 6 | 4.6 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL495605 | 14744 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 484 | 5 | 3 | 6 | 4.6 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45142446 | 198676 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 484 | 8 | 3 | 7 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL597765 | 198676 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 484 | 8 | 3 | 7 | 1.7 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 25124162 | 59943 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 3 | 3 | 6 | 3.7 | Cc1cc(C)cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL1671994 | 59943 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 3 | 3 | 6 | 3.7 | Cc1cc(C)cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 | 10.1016/j.ejmech.2021.113924 | ||
| CHEMBL1741096 | 59943 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 3 | 3 | 6 | 3.7 | Cc1cc(C)cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 | 10.1016/j.ejmech.2021.113924 | ||
| 25128136 | 14719 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 566 | 6 | 4 | 9 | 4.1 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1207855 | 14719 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 566 | 6 | 4 | 9 | 4.1 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL446904 | 14719 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 566 | 6 | 4 | 9 | 4.1 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45273789 | 194233 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 525 | 11 | 3 | 7 | 2.8 | CCCNc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL559126 | 194233 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 525 | 11 | 3 | 7 | 2.8 | CCCNc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45273789 | 194233 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 525 | 11 | 3 | 7 | 2.8 | CCCNc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| CHEMBL559126 | 194233 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 525 | 11 | 3 | 7 | 2.8 | CCCNc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 | 10.1021/jm901518t | ||
| 45141130 | 197462 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 648 | 12 | 2 | 8 | 3.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL589290 | 197462 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 648 | 12 | 2 | 8 | 3.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 44129446 | 81946 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 669 | 14 | 3 | 10 | 1.0 | CCCNC(=O)[C@@H]1CCCN1C(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nn1-c1ccccc1 | 10.1021/jm300771j | ||
| CHEMBL2172267 | 81946 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 669 | 14 | 3 | 10 | 1.0 | CCCNC(=O)[C@@H]1CCCN1C(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nn1-c1ccccc1 | 10.1021/jm300771j | ||
| 9969173 | 196799 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 4 | 0 | 5 | 3.1 | CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL577508 | 196799 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 4 | 0 | 5 | 3.1 | CCc1cc2c(N3CCN(C(=O)Cc4ccccc4)CC3)ncnc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 25123183 | 14767 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 632 | 7 | 5 | 13 | 2.9 | COc1nc(Cl)nc(Nc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2S(=O)(=O)O)n1 | 10.1021/jm1012193 | ||
| 25123183 | 14767 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 632 | 7 | 5 | 13 | 2.9 | COc1nc(Cl)nc(Nc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2S(=O)(=O)O)n1 | 10.1021/jm9003297 | ||
| CHEMBL1208235 | 14767 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 632 | 7 | 5 | 13 | 2.9 | COc1nc(Cl)nc(Nc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2S(=O)(=O)O)n1 | 10.1021/jm1012193 | ||
| CHEMBL1208235 | 14767 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 632 | 7 | 5 | 13 | 2.9 | COc1nc(Cl)nc(Nc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2S(=O)(=O)O)n1 | 10.1021/jm9003297 | ||
| CHEMBL509572 | 14767 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 632 | 7 | 5 | 13 | 2.9 | COc1nc(Cl)nc(Nc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2S(=O)(=O)O)n1 | 10.1021/jm1012193 | ||
| CHEMBL509572 | 14767 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 632 | 7 | 5 | 13 | 2.9 | COc1nc(Cl)nc(Nc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2S(=O)(=O)O)n1 | 10.1021/jm9003297 | ||
| 25124484 | 14581 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 3 | 3 | 6 | 3.7 | Nc1c(S(=O)(=O)O)cc(Nc2cccc(Cl)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| 25124484 | 14581 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 3 | 3 | 6 | 3.7 | Nc1c(S(=O)(=O)O)cc(Nc2cccc(Cl)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1206415 | 14581 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 3 | 3 | 6 | 3.7 | Nc1c(S(=O)(=O)O)cc(Nc2cccc(Cl)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL1206415 | 14581 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 3 | 3 | 6 | 3.7 | Nc1c(S(=O)(=O)O)cc(Nc2cccc(Cl)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL271672 | 14581 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 3 | 3 | 6 | 3.7 | Nc1c(S(=O)(=O)O)cc(Nc2cccc(Cl)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL271672 | 14581 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 3 | 3 | 6 | 3.7 | Nc1c(S(=O)(=O)O)cc(Nc2cccc(Cl)c2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45269454 | 194444 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 567 | 10 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL561007 | 194444 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 567 | 10 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45142449 | 194656 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 12 | 3 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL562344 | 194656 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 12 | 3 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45487821 | 195442 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 8 | 3 | 7 | 3.0 | CCc1cc2c(N3CCN(C(=O)Cc4ccc(F)c(F)c4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL567715 | 195442 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 8 | 3 | 7 | 3.0 | CCc1cc2c(N3CCN(C(=O)Cc4ccc(F)c(F)c4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45269454 | 194444 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 567 | 10 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL561007 | 194444 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 567 | 10 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142449 | 194656 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 12 | 3 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL562344 | 194656 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 12 | 3 | 8 | 1.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 136677322 | 3244 | 22 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/jm1012193 | ||
| 1739 | 3244 | 22 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/jm1012193 | ||
| 656725 | 3244 | 22 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/jm1012193 | ||
| CHEMBL1160031 | 3244 | 22 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10.1021/jm1012193 | ||
| 45270321 | 193847 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 648 | 12 | 3 | 8 | 3.7 | NCC1CCN(c2cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCN(C(=O)OCCC4CCCC4)CC3)nc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL553856 | 193847 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 648 | 12 | 3 | 8 | 3.7 | NCC1CCN(c2cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCN(C(=O)OCCC4CCCC4)CC3)nc(-c3ccccc3)c2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45139400 | 198557 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 13 | 2 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL596939 | 198557 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 13 | 2 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45273820 | 193181 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539734 | 193181 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 622 | 13 | 3 | 8 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267721 | 195047 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 538 | 13 | 2 | 6 | 4.0 | CCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL564981 | 195047 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 538 | 13 | 2 | 6 | 4.0 | CCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267721 | 195047 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 538 | 13 | 2 | 6 | 4.0 | CCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL564981 | 195047 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 538 | 13 | 2 | 6 | 4.0 | CCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141585 | 197692 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 651 | 14 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590939 | 197692 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 651 | 14 | 2 | 8 | 4.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485942 | 195850 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 668 | 16 | 2 | 10 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OCCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570156 | 195850 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 668 | 16 | 2 | 10 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OCCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 46232948 | 199216 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 608 | 14 | 3 | 8 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(CNC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601488 | 199216 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 608 | 14 | 3 | 8 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(CNC)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 66855824 | 81951 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 681 | 13 | 3 | 10 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172272 | 81951 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 681 | 13 | 3 | 10 | 1.2 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 46232928 | 199177 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 676 | 14 | 2 | 8 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(CN4CCCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601273 | 199177 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 676 | 14 | 2 | 8 | 4.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(CN4CCCC4)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485940 | 195085 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 624 | 13 | 2 | 9 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL565300 | 195085 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 624 | 13 | 2 | 9 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(OC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485916 | 195226 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 663 | 13 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL566176 | 195226 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 663 | 13 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N4CCCC4)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45139590 | 199096 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 715 | 16 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(S(=O)(=O)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600577 | 199096 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 715 | 16 | 2 | 9 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(S(=O)(=O)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485913 | 196113 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 12 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL571929 | 196113 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 12 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45139591 | 198733 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 553 | 12 | 3 | 7 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(N)=O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598160 | 198733 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 553 | 12 | 3 | 7 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(N)=O)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232880 | 197547 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 664 | 15 | 2 | 8 | 4.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589961 | 197547 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 664 | 15 | 2 | 8 | 4.4 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45141583 | 196929 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 687 | 14 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(S(=O)(=O)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL578714 | 196929 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 687 | 14 | 2 | 9 | 3.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(S(=O)(=O)CC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45142450 | 199093 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 681 | 14 | 2 | 9 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL600574 | 199093 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 681 | 14 | 2 | 9 | 4.0 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 5906 | 1009 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 1.7 | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 | 10.1016/j.bmcl.2022.128837 | ||
| 66855377 | 1009 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 1.7 | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL2172140 | 1009 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 1.7 | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 | 10.1016/j.bmcl.2022.128837 | ||
| 5906 | 1009 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 1.7 | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 | 10.1021/jm300771j | ||
| 66855377 | 1009 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 1.7 | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 | 10.1021/jm300771j | ||
| CHEMBL2172140 | 1009 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 637 | 12 | 2 | 9 | 1.7 | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 | 10.1021/jm300771j | ||
| 44129369 | 81915 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)[C@H](C)C1 | 10.1021/jm300771j | ||
| CHEMBL2172151 | 81915 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)[C@H](C)C1 | 10.1021/jm300771j | ||
| 45140933 | 197766 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 623 | 12 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591427 | 197766 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 623 | 12 | 2 | 8 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N3CCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139952 | 198560 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 554 | 13 | 2 | 7 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL596961 | 198560 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 554 | 13 | 2 | 7 | 3.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139956 | 199449 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 611 | 15 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603148 | 199449 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 611 | 15 | 3 | 8 | 2.6 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232889 | 197556 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 650 | 13 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590003 | 197556 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 650 | 13 | 3 | 8 | 3.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485883 | 195805 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 625 | 13 | 2 | 8 | 5.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SC3CCCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569913 | 195805 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 625 | 13 | 2 | 8 | 5.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SC3CCCCC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 25123505 | 14753 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 453 | 4 | 5 | 8 | 2.3 | Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc(C(=O)O)c1 | 10.1021/jm9003297 | ||
| CHEMBL1208113 | 14753 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 453 | 4 | 5 | 8 | 2.3 | Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc(C(=O)O)c1 | 10.1021/jm9003297 | ||
| CHEMBL498038 | 14753 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 453 | 4 | 5 | 8 | 2.3 | Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc(C(=O)O)c1 | 10.1021/jm9003297 | ||
| 44129371 | 81911 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 729 | 13 | 3 | 10 | 2.2 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)Oc2ccccc2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172147 | 81911 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 729 | 13 | 3 | 10 | 2.2 | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)Oc2ccccc2)CC1 | 10.1021/jm300771j | ||
| 45485852 | 195748 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 612 | 16 | 2 | 9 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569617 | 195748 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 612 | 16 | 2 | 9 | 2.9 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN(CC)CC)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45270267 | 193425 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 7 | 1 | 6 | 3.2 | CCC(=O)ON1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL549797 | 193425 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 7 | 1 | 6 | 3.2 | CCC(=O)ON1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 46233357 | 199895 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 6 | 1 | 5 | 3.4 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL605565 | 199895 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 6 | 1 | 5 | 3.4 | CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 13782419 | 14582 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 428 | 3 | 3 | 6 | 3.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1206416 | 14582 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 428 | 3 | 3 | 6 | 3.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL271673 | 14582 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 428 | 3 | 3 | 6 | 3.7 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 11670815 | 195524 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 517 | 8 | 3 | 8 | 3.6 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC[C@@H](O)CO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568148 | 195524 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 517 | 8 | 3 | 8 | 3.6 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC[C@@H](O)CO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45273782 | 193836 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 581 | 11 | 3 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL553654 | 193836 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 581 | 11 | 3 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45273782 | 193836 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 581 | 11 | 3 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL553654 | 193836 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 581 | 11 | 3 | 8 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45487842 | 197306 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 501 | 8 | 2 | 7 | 4.7 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCCO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585317 | 197306 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 501 | 8 | 2 | 7 | 4.7 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCCO)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45487790 | 197304 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 526 | 10 | 3 | 8 | 3.0 | CCc1cc2c(N3CCN(C(=O)CCOc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL585306 | 197304 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 526 | 10 | 3 | 8 | 3.0 | CCc1cc2c(N3CCN(C(=O)CCOc4ccccc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 45139946 | 198527 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 2.0 | C#CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL596733 | 198527 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 2.0 | C#CCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 20638786 | 154423 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 9 | 4 | 10 | 1.2 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| CHEMBL401158 | 154423 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 9 | 4 | 10 | 1.2 | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O | 10.1016/j.bmcl.2007.07.057 | ||
| 11950159 | 195439 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 515 | 8 | 2 | 7 | 4.8 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL567702 | 195439 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 515 | 8 | 2 | 7 | 4.8 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NCCC(=O)O)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 46233176 | 199686 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 567 | 10 | 2 | 6 | 3.8 | CCCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL604497 | 199686 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 567 | 10 | 2 | 6 | 3.8 | CCCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232885 | 197555 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 690 | 15 | 2 | 8 | 4.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590002 | 197555 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 690 | 15 | 2 | 8 | 4.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CCN4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485948 | 195887 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 682 | 17 | 2 | 10 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(COCCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570384 | 195887 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 682 | 17 | 2 | 10 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(COCCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45140753 | 197681 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 596 | 16 | 2 | 7 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590771 | 197681 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 596 | 16 | 2 | 7 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232905 | 197509 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 15 | 2 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589616 | 197509 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 15 | 2 | 9 | 3.0 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45485945 | 195402 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567468 | 195402 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 638 | 14 | 2 | 9 | 3.4 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485951 | 195874 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 15 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL570271 | 195874 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 15 | 2 | 9 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCOC)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485899 | 196067 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 609 | 12 | 3 | 9 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL571583 | 196067 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 609 | 12 | 3 | 9 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(N)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45140752 | 197689 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 582 | 15 | 2 | 7 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590856 | 197689 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 582 | 15 | 2 | 7 | 3.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140362 | 197760 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 583 | 15 | 3 | 8 | 2.9 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591367 | 197760 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 583 | 15 | 3 | 8 | 2.9 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232909 | 197545 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 679 | 16 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL589927 | 197545 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 679 | 16 | 2 | 9 | 3.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 46233227 | 197849 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 693 | 13 | 2 | 9 | 4.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)C3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592164 | 197849 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 693 | 13 | 2 | 9 | 4.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)C3CCOCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232908 | 199284 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 665 | 15 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601908 | 199284 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 665 | 15 | 2 | 9 | 2.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCN(C)C)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45140163 | 197652 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 16 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)CCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590602 | 197652 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 16 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)CCCN(C)C)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140555 | 197700 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 606 | 13 | 2 | 6 | 5.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CC3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590989 | 197700 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 606 | 13 | 2 | 6 | 5.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CC3CCCCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139954 | 198939 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 569 | 14 | 3 | 8 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599397 | 198939 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 569 | 14 | 3 | 8 | 2.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232910 | 199285 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 700 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCS(C)(=O)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL601909 | 199285 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 700 | 15 | 2 | 10 | 2.3 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCN(CCS(C)(=O)=O)CC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45269484 | 193992 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 671 | 14 | 2 | 9 | 3.1 | CN(CCS(C)(=O)=O)c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCCC3CCCC3)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL556493 | 193992 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 671 | 14 | 2 | 9 | 3.1 | CN(CCS(C)(=O)=O)c1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCCC3CCCC3)CC2)nc(-c2ccccc2)c1 | 10.1016/j.bmcl.2009.06.075 | ||
| 66857005 | 81917 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C[C@@H]1C | 10.1021/jm300771j | ||
| CHEMBL2172153 | 81917 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 695 | 13 | 3 | 10 | 1.6 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C[C@@H]1C | 10.1021/jm300771j | ||
| 45270295 | 193103 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 625 | 14 | 2 | 8 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL538171 | 193103 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 625 | 14 | 2 | 8 | 3.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 44128983 | 81905 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 709 | 16 | 4 | 10 | 2.0 | CCCCOC(=O)NC1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C1 | 10.1021/jm300771j | ||
| CHEMBL2172141 | 81905 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 709 | 16 | 4 | 10 | 2.0 | CCCCOC(=O)NC1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C1 | 10.1021/jm300771j | ||
| 45487838 | 195633 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 608 | 5 | 0 | 7 | 5.1 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCN(C(=O)C(F)(F)F)CC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| CHEMBL568772 | 195633 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 608 | 5 | 0 | 7 | 5.1 | CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCN(C(=O)C(F)(F)F)CC3)nc2s1 | 10.1016/j.bmcl.2009.08.059 | ||
| 46233095 | 197737 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 9 | 1 | 7 | 3.5 | CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591212 | 197737 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 9 | 1 | 7 | 3.5 | CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm901518t | ||
| 46233134 | 197783 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 571 | 8 | 2 | 6 | 4.3 | CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591536 | 197783 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 571 | 8 | 2 | 6 | 4.3 | CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 | 10.1021/jm901518t | ||
| 16681707 | 748 | 4 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 10.1021/jm300771j | ||
| 1767 | 748 | 4 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 10.1021/jm300771j | ||
| CHEMBL2172275 | 748 | 4 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 586 | 11 | 2 | 9 | 2.5 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O | 10.1021/jm300771j | ||
| 46233451 | 198706 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 541 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL597980 | 198706 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 541 | 11 | 3 | 8 | 1.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCO)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 25128135 | 14750 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 5 | 3 | 7 | 5.2 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Sc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1208102 | 14750 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 5 | 3 | 7 | 5.2 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Sc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL496620 | 14750 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 5 | 3 | 7 | 5.2 | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Sc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45140161 | 197801 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 596 | 16 | 2 | 7 | 4.8 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL591691 | 197801 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 596 | 16 | 2 | 7 | 4.8 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 168293759 | 191569 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 527 | 5 | 2 | 8 | 2.7 | NCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCNC(=O)C3)nc2s1 | 10.1016/j.bmcl.2022.128837 | ||
| CHEMBL5203993 | 191569 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 527 | 5 | 2 | 8 | 2.7 | NCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N3CCNC(=O)C3)nc2s1 | 10.1016/j.bmcl.2022.128837 | ||
| 46233174 | 199005 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 539 | 8 | 2 | 6 | 3.0 | CCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL599843 | 199005 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 539 | 8 | 2 | 6 | 3.0 | CCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141773 | 199445 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 662 | 13 | 2 | 8 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL603144 | 199445 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 662 | 13 | 2 | 8 | 4.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233226 | 196809 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 677 | 12 | 2 | 8 | 4.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)C(F)(F)F)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL577653 | 196809 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 677 | 12 | 2 | 8 | 4.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)C(F)(F)F)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46233238 | 197878 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 722 | 13 | 2 | 9 | 5.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCC(OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592407 | 197878 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 722 | 13 | 2 | 9 | 5.1 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCC(OC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45485921 | 195343 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 623 | 13 | 3 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CN)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL567050 | 195343 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 623 | 13 | 3 | 9 | 2.8 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CN)CC3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45485894 | 195777 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 651 | 14 | 3 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| CHEMBL569742 | 195777 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 651 | 14 | 3 | 9 | 3.9 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NC3CCN(C(C)C)CC3)nc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.09.017 | ||
| 45141345 | 196792 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 653 | 15 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL577454 | 196792 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 653 | 15 | 2 | 9 | 3.3 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45140363 | 197920 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592671 | 197920 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 623 | 14 | 3 | 8 | 3.7 | CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141578 | 197599 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 583 | 15 | 3 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL590262 | 197599 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 583 | 15 | 3 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45272861 | 193810 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 584 | 15 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL552971 | 193810 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 584 | 15 | 2 | 8 | 3.2 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45141774 | 197961 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 667 | 16 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL592886 | 197961 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 667 | 16 | 2 | 9 | 3.7 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 46232929 | 197594 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 664 | 14 | 3 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(CNC(C)=O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| CHEMBL590257 | 197594 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 664 | 14 | 3 | 8 | 3.5 | CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC(CNC(C)=O)C3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.12.110 | ||
| 45267728 | 194532 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 542 | 12 | 2 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL561484 | 194532 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 542 | 12 | 2 | 8 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45268641 | 193170 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 579 | 11 | 3 | 8 | 2.3 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL539661 | 193170 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 579 | 11 | 3 | 8 | 2.3 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45142447 | 198739 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 512 | 10 | 2 | 7 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL598177 | 198739 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 512 | 10 | 2 | 7 | 2.4 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 45139764 | 198799 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 522 | 8 | 2 | 6 | 2.6 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC(F)(F)F)CC1 | 10.1021/jm901518t | ||
| CHEMBL598612 | 198799 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 522 | 8 | 2 | 6 | 2.6 | O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC(F)(F)F)CC1 | 10.1021/jm901518t | ||
| 45269473 | 194666 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 13 | 2 | 8 | 2.2 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL562406 | 194666 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 554 | 13 | 2 | 8 | 2.2 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 71462475 | 81950 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 667 | 13 | 3 | 10 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@@H]3C(=O)NC3CC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| CHEMBL2172271 | 81950 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 667 | 13 | 3 | 10 | 0.8 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@@H]3C(=O)NC3CC3)n(-c3ccccc3)n2)CC1 | 10.1021/jm300771j | ||
| 45267722 | 194426 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 9 | 2 | 7 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL560882 | 194426 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 9 | 2 | 7 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45267722 | 194426 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 9 | 2 | 7 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL560882 | 194426 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 9 | 2 | 7 | 2.0 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 22916 | 14556 | 22 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 394 | 3 | 3 | 6 | 3.0 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| 22916 | 14556 | 22 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 394 | 3 | 3 | 6 | 3.0 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL1206272 | 14556 | 22 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 394 | 3 | 3 | 6 | 3.0 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL1206272 | 14556 | 22 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 394 | 3 | 3 | 6 | 3.0 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| CHEMBL256057 | 14556 | 22 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 394 | 3 | 3 | 6 | 3.0 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm1012193 | ||
| CHEMBL256057 | 14556 | 22 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 394 | 3 | 3 | 6 | 3.0 | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O | 10.1021/jm9003297 | ||
| 45270300 | 193726 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 541 | 12 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL552022 | 193726 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 541 | 12 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45273811 | 194822 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 13 | 2 | 7 | 3.4 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| CHEMBL563429 | 194822 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 13 | 2 | 7 | 3.4 | C=CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 | 10.1016/j.bmcl.2009.06.075 | ||
| 45270300 | 193726 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 541 | 12 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| CHEMBL552022 | 193726 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 541 | 12 | 3 | 8 | 2.1 | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 | 10.1021/jm901518t | ||
| 1756 | 459 | 8 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 23495690 | ||
| 5310954 | 459 | 8 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 23495690 | ||
| CHEMBL336292 | 459 | 8 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 23495690 | ||
| 60606 | 61231 | 68 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | None | ||
| CHEMBL1771 | 61231 | 68 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 321 | 3 | 0 | 4 | 3.7 | COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 | None | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | None | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 17827008 | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 17827008 | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 17827008 | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 17827008 | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 17827008 | ||
| 1712 | 285 | 64 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 11196645 | ||
| 6022 | 285 | 64 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 11196645 | ||
| CHEMBL14830 | 285 | 64 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 11196645 | ||
| 44126037 | 1091 | 2 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 599 | 12 | 2 | 10 | 2.0 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O | 22984835 | ||
| 5905 | 1091 | 2 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 599 | 12 | 2 | 10 | 2.0 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O | 22984835 | ||
| CHEMBL2172277 | 1091 | 2 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 599 | 12 | 2 | 10 | 2.0 | CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O | 22984835 | ||
| 44583582 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19463000 | ||
| 5904 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19463000 | ||
| 59448166 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19463000 | ||
| CHEMBL1207916 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19463000 | ||
| CHEMBL455536 | 3155 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 609 | 8 | 3 | 11 | 3.1 | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] | 19463000 | ||
| 1765 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 22984835 | ||
| 4184 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 22984835 | ||
| 9871419 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 22984835 | ||
| CHEMBL398435 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 22984835 | ||
| DB08816 | 3757 | 94 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 22984835 | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 24215345 | ||
| 23649325 | 536 | 47 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 24670650 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 24215345 | ||
| 7360 | 536 | 47 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 24670650 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 24215345 | ||
| CHEMBL2419490 | 536 | 47 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 470 | 7 | 1 | 8 | 2.3 | CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 | 24670650 | ||
| 5906 | 1009 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 637 | 12 | 2 | 9 | 1.7 | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 | 22984835 | ||
| 66855377 | 1009 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 637 | 12 | 2 | 9 | 1.7 | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 | 22984835 | ||
| CHEMBL2172140 | 1009 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 637 | 12 | 2 | 9 | 1.7 | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 | 22984835 | ||
| 121990 | 75 | 12 | None | 10 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 11196645 | ||
| 1710 | 75 | 12 | None | 10 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 11196645 | ||
| 1763 | 75 | 12 | None | 10 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 11196645 | ||
| CHEMBL435402 | 75 | 12 | None | 10 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 473 | 7 | 6 | 13 | -1.0 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O | 11196645 | ||
| 10000627 | 2967 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 394 | 2 | 1 | 2 | 0.8 | Cl[Hg]c1ccc(cc1)S(=O)(=O)O | 15199474 | ||
| 11136 | 2967 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 394 | 2 | 1 | 2 | 0.8 | Cl[Hg]c1ccc(cc1)S(=O)(=O)O | 15199474 | ||
| 1773 | 2967 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 394 | 2 | 1 | 2 | 0.8 | Cl[Hg]c1ccc(cc1)S(=O)(=O)O | 15199474 | ||
| 56947084 | 2967 | 0 | None | - | 1 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 394 | 2 | 1 | 2 | 0.8 | Cl[Hg]c1ccc(cc1)S(=O)(=O)O | 15199474 | ||
| 10066813 | 942 | 0 | None | - | 1 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 355 | 4 | 2 | 5 | 2.6 | COC(=O)[C@H](c1ccccc1Cl)N1CCC(/C(=C\C(=O)O)/C1)S | 15199474 | ||
| 1772 | 942 | 0 | None | - | 1 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 355 | 4 | 2 | 5 | 2.6 | COC(=O)[C@H](c1ccccc1Cl)N1CCC(/C(=C\C(=O)O)/C1)S | 15199474 | ||